data_2dmi_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 2dmi _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.809 0.337 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -107.07 161.12 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -145.62 151.24 37.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 51.6 t -97.52 136.81 37.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -71.0 -61.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.497 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.4 m-20 -43.95 -73.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.13 178.05 5.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.0 m -102.25 40.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.81 109.51 21.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.057 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.64 156.32 16.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -134.25 172.62 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -102.18 -42.57 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.4 p -108.18 136.44 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.58 -41.09 80.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.85 -25.71 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -84.96 -41.04 16.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 tp -63.79 -57.43 9.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.9 p -42.16 -50.68 4.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -48.21 -43.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.456 ' CE1' HG22 ' A' ' 42' ' ' THR . 40.2 t60 -71.9 -41.85 67.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.4 mtm -54.64 -35.91 63.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -90.94 -47.85 7.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -49.0 -55.11 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.456 HG22 ' CE1' ' A' ' 38' ' ' HIS . 42.3 p -88.92 -40.5 13.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.61 -29.18 4.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.497 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 14.1 m170 -47.37 174.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 0.0 110.805 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.94 0.4 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -145.08 128.84 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 47.7 t -72.05 131.39 42.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.5 ttp -78.11 -19.86 53.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 3.8 t80 -71.67 -60.76 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.0 p -95.1 -54.38 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 104.06 71.83 0.87 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.481 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 5.9 t-160 -139.3 106.68 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 m -57.52 149.11 21.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.559 ' CD2' HD23 ' A' ' 96' ' ' LEU . 97.7 m-85 -130.92 175.24 9.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -106.22 -47.34 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -112.91 160.92 17.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 30.6 mt -60.41 -55.13 37.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' LEU . 43.6 tp60 -37.78 -60.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.473 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 4.0 m-20 -41.82 -41.64 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.559 HD23 ' CD2' ' A' ' 90' ' ' PHE . 2.0 tm? -72.75 -54.15 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.6 m -57.97 -62.36 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 99' ' ' HIS . 7.8 p -48.12 -21.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.431 ' N ' HG13 ' A' ' 98' ' ' VAL . 6.1 t60 -83.78 -47.76 10.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.8 mtp -51.44 -30.73 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 17.5 mt -88.76 -53.56 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -54.51 -22.65 13.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.1 p -116.24 -14.42 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 53.49 46.37 26.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -81.77 -34.03 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.5 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -82.59 145.26 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 mtp85 -135.78 131.33 35.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.33 144.54 31.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ASP . 12.9 tttm -78.57 -65.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.3 m-20 -34.52 -65.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.8 p -100.36 -175.19 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.7 p -107.97 47.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.38 168.06 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.23 140.34 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -123.45 166.55 15.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.0 -40.68 10.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 p -108.86 135.65 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.7 tp -57.91 -49.03 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.0 p -45.07 -40.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.232 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.59 -39.77 67.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' THR . 28.9 tp -65.13 -60.92 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 7.9 p -37.11 -43.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.2 t -56.01 -55.76 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -58.34 -31.25 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.7 mtm -68.03 -55.09 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -69.46 -29.64 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -71.01 -68.45 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.1 p -74.18 2.2 9.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.41 -31.71 4.08 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 42.4 m170 -43.74 159.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.828 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.558 ' CD1' ' C ' ' A' ' 92' ' ' SER . 10.9 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.916 0.389 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 89' ' ' SER . 2.1 tptp -141.37 140.86 33.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 19.0 t -74.54 158.21 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -97.4 -38.89 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 4.5 t80 -63.4 -61.82 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 29.8 p -102.42 -49.41 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.39 81.96 1.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.562 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 7.0 m170 -122.61 126.42 47.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.35 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.467 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 80.6 p -74.04 114.74 12.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.562 ' CE2' ' O ' ' A' ' 88' ' ' HIS . 41.2 m-85 -107.65 140.86 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -63.68 -32.84 74.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.558 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 53.8 p -154.41 165.49 36.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -50.92 -46.43 60.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' LEU . 25.2 tp60 -35.89 -65.14 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.0 -42.81 80.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.532 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -52.28 -57.22 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.8 m -52.58 -61.24 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.04 -50.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.421 ' ND1' HG22 ' A' ' 103' ' ' THR . 5.0 t60 -60.72 -45.48 94.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 104' ' ' LYS . 9.1 mtt -59.08 -51.58 69.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.51 -48.95 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -61.43 -64.31 0.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.421 HG22 ' ND1' ' A' ' 99' ' ' HIS . 31.4 p -66.82 -20.94 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' MET . 6.5 mmtp 62.97 53.13 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.414 ' ND1' ' HB3' ' A' ' 85' ' ' TYR . 34.8 m170 -95.22 -33.77 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.838 0.352 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 61.2 m-85 -113.93 161.02 18.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -149.94 127.08 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.71 135.51 41.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -71.87 -64.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -44.82 -66.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.6 p -96.97 155.68 16.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -84.46 36.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.7 127.25 45.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.56 155.68 27.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -134.45 159.42 41.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.77 -48.05 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.6 p -112.72 143.63 43.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' LEU . 21.5 tp -52.91 -49.9 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.7 m -40.27 -44.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -68.35 -33.96 75.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' LEU . 24.6 tp -71.74 -53.2 14.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 39' ' ' MET . 39.4 p -48.76 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 38' ' ' HIS . 10.5 p -36.82 -33.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' THR . 8.9 t60 -82.78 -45.24 14.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' THR . 38.0 mtm -56.5 -43.11 79.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -71.25 -51.33 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -51.11 -66.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.6 p -70.1 -48.97 55.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.64 27.75 2.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.508 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 14.8 m170 -90.21 -175.34 4.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 24.2 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.958 0.409 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -145.73 145.0 30.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 87' ' ' GLY . 41.8 t -91.87 108.55 20.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 7.5 tpp -49.88 -40.42 42.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -52.54 -72.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 23.1 p -92.0 -50.89 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 100.25 57.67 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -108.63 100.76 9.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -55.87 137.86 49.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.649 ' CD1' ' CG ' ' A' ' 95' ' ' ASP . 61.0 m-85 -129.92 169.21 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -96.47 -47.15 6.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.7 p -119.28 162.5 18.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.6 tp -61.29 -38.27 86.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -39.8 -58.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.649 ' CG ' ' CD1' ' A' ' 90' ' ' PHE . 6.5 t0 -53.3 -56.52 15.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -52.38 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.7 t -42.09 -69.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.68 -55.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -46.61 -50.65 17.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.3 mtt -47.8 -46.32 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.485 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 4.7 mp -74.89 -60.0 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -41.37 -46.92 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.549 ' HB ' ' CD2' ' A' ' 105' ' ' HIS . 78.6 p -93.06 -13.82 28.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' ' 101' ' ' ILE . 3.1 mppt? 54.85 38.25 29.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.549 ' CD2' ' HB ' ' A' ' 103' ' ' THR . 26.4 m170 -67.43 -53.71 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.828 0.347 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 54.5 m-85 -119.85 157.77 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -137.29 175.76 9.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 24' ' ' ASP . 8.9 t -126.09 90.39 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.6 ttpt -33.87 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' CYS . 5.4 t70 -72.21 -70.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 22' ' ' CYS . 30.2 p -101.49 152.89 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -78.35 42.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.65 120.66 42.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.57 160.52 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -136.34 147.27 47.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.83 -40.52 97.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.3 p -121.73 153.51 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 45.9 tp -64.58 -49.27 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.4 p -44.1 -45.69 2.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.447 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 6.5 mm-40 -63.31 -28.81 70.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' LEU . 17.3 tp -81.36 -53.01 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 p -46.01 -43.17 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.482 HG11 ' N ' ' A' ' 38' ' ' HIS . 10.2 p -58.84 -30.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.482 ' N ' HG11 ' A' ' 37' ' ' VAL . 4.8 t60 -85.31 -40.03 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.421 ' SD ' ' C ' ' A' ' 45' ' ' TYR . 27.5 mtm -57.44 -38.54 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -82.5 -43.76 16.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -55.11 -57.86 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.7 p -80.63 -45.93 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.36 -27.87 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -45.78 163.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.421 ' C ' ' SD ' ' A' ' 39' ' ' MET . 4.3 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 92' ' ' SER . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.849 0.356 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.421 ' C ' HD12 ' A' ' 96' ' ' LEU . 2.8 ttmp? -146.92 154.76 41.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' A' ' 87' ' ' GLY . 27.1 t -102.27 103.84 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.8 ttm -54.2 -44.18 71.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -39.25 -65.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.9 p -102.52 -49.38 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 110.83 82.89 1.33 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.544 ' O ' ' CE1' ' A' ' 90' ' ' PHE . 15.7 m-70 -141.18 109.88 6.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.0 p -75.95 138.96 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.544 ' CE1' ' O ' ' A' ' 88' ' ' HIS . 79.6 m-85 -125.16 -175.6 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -108.7 -44.42 4.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.549 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -115.68 146.66 41.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.523 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -52.45 -45.93 66.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.416 ' NE2' HG23 ' A' ' 98' ' ' VAL . 14.2 tm0? -44.7 -49.63 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.26 -47.81 84.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' A' ' 90' ' ' PHE . 60.8 tp -58.46 -56.59 20.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.61 -61.11 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.416 HG23 ' NE2' ' A' ' 94' ' ' GLN . 15.0 t -39.25 -62.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.508 ' CD2' ' N ' ' A' ' 100' ' ' MET . 6.1 t60 -47.12 -65.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.508 ' N ' ' CD2' ' A' ' 99' ' ' HIS . 55.2 mtp -41.98 -32.12 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 21.4 mt -79.94 -60.11 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.11 -49.58 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 p -79.47 12.31 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.09 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.35 37.24 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -82.28 -29.84 30.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.825 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.872 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HD3' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -111.34 137.31 49.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -129.37 138.84 51.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.0 t -79.76 140.28 36.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -63.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.9 m-20 -48.47 -69.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.7 p -96.99 178.16 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -100.68 41.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.45 109.9 22.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.01 156.35 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 35' ' ' LEU . 67.1 m-85 -140.44 157.57 45.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.48 -47.58 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -113.06 151.9 30.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.59 -42.35 96.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -49.75 -24.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.429 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 8.4 mm-40 -87.92 -34.87 17.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.529 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 25.4 tp -73.28 -56.08 5.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.6 p -45.81 -56.45 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 38' ' ' HIS . 7.7 p -46.83 -30.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.466 ' N ' HG12 ' A' ' 37' ' ' VAL . 46.7 t60 -82.92 -38.17 23.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.8 mtm -60.69 -29.46 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -89.5 -54.18 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -44.22 -55.47 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.7 p -89.48 -43.89 10.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.97 -27.03 4.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 36.4 m170 -43.8 165.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.813 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 89' ' ' SER . 7.5 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.894 0.378 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.435 ' C ' HD22 ' A' ' 96' ' ' LEU . 27.2 ttpp -133.7 158.9 42.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 87' ' ' GLY . 51.6 t -97.32 112.22 24.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 7.2 tpp -51.6 -39.63 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.448 ' CD1' ' CE1' ' A' ' 105' ' ' HIS . 3.1 t80 -50.75 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.996 0.427 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' A' ' 88' ' ' HIS . 2.7 p -83.83 -57.77 3.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 108.46 60.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.438 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.499 ' CD2' ' O ' ' A' ' 88' ' ' HIS . 0.4 OUTLIER -131.15 97.11 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 93.9 p -70.23 126.92 31.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -104.47 162.82 12.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -98.51 21.23 11.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -156.22 132.84 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.78 -32.93 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.503 ' O ' ' CG2' ' A' ' 98' ' ' VAL . 16.7 tp60 -66.8 -42.28 86.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -59.92 -38.64 82.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.435 HD22 ' C ' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -77.17 -68.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 m -43.7 -38.48 3.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 94' ' ' GLN . 11.4 t -61.92 -67.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.419 ' N ' HG11 ' A' ' 98' ' ' VAL . 13.2 t60 -44.72 -53.16 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.42 ' HG2' ' CD1' ' A' ' 96' ' ' LEU . 4.3 mmt -39.78 -42.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.7 mt -86.59 -61.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -40.52 -33.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.3 p -107.8 -19.1 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.44 40.49 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.448 ' CE1' ' CD1' ' A' ' 85' ' ' TYR . 4.0 m170 -72.5 -52.1 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 61.5 m-85 -92.4 166.3 12.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -152.53 154.97 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -100.67 135.76 41.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.523 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 2.6 m-20 -44.79 -69.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.7 p -94.29 -177.65 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -109.32 43.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.27 111.67 24.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.97 160.67 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -141.96 155.41 45.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.81 -47.87 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 p -113.58 155.46 25.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 10.8 tp -63.0 -48.11 80.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -43.16 -37.27 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.81 -37.53 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.9 tp -73.72 -54.88 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p -42.15 -67.3 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -37.51 -43.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -70.26 -47.2 62.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 31.7 mtm -50.26 -41.09 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -82.76 -43.45 16.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -50.64 -44.69 57.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.9 p -98.87 -47.65 5.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.05 -36.58 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 12.0 m170 -38.4 156.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.973 -179.862 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -132.08 154.34 49.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.441 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 20.2 t -90.46 154.64 19.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.4 mtp -99.48 -33.87 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -62.09 -59.39 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 29.4 p -102.29 -50.1 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 102.84 68.72 0.8 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 6.1 t60 -115.19 136.97 52.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.8 p -88.99 120.16 30.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.582 ' CD1' HD21 ' A' ' 96' ' ' LEU . 15.9 m-85 -111.75 177.22 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 92' ' ' SER . 11.6 pt-20 -110.69 -48.27 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -109.27 149.25 29.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.1 tt -52.84 -45.86 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.403 ' NE2' HG13 ' A' ' 98' ' ' VAL . 0.4 OUTLIER -44.64 -61.28 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -44.75 -27.98 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.582 HD21 ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -80.82 -61.52 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 t -52.8 -31.97 41.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.403 HG13 ' NE2' ' A' ' 94' ' ' GLN . 7.1 p -82.06 -39.32 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -57.17 -58.37 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.8 mmt -50.26 -63.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 83.8 mt -48.02 -39.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -62.77 -47.68 82.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 104' ' ' LYS . 66.0 p -101.45 24.06 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 103' ' ' THR . 15.0 ttpt 33.11 50.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -84.9 -37.56 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.836 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.79 0.328 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 58.1 m-85 -108.43 165.86 11.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -150.38 150.51 31.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.39 138.59 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -77.18 -65.15 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -40.35 -67.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.3 p -103.59 -177.8 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -103.57 40.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.55 107.48 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.27 166.73 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -141.19 159.05 43.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.31 -43.12 21.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.3 p -113.03 145.41 40.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 65.4 tp -61.57 -53.14 60.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.3 m -40.76 -39.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -72.62 -42.19 64.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.28 -57.0 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 p -38.22 -58.88 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -43.5 -50.67 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.425 ' HA ' ' CD ' ' A' ' 41' ' ' GLU . 26.8 t60 -64.05 -34.92 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.4 mtm -63.21 -37.98 89.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -88.78 -56.12 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.469 ' CG ' HG21 ' A' ' 42' ' ' THR . 6.8 pt-20 -39.84 -39.94 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.469 HG21 ' CG ' ' A' ' 41' ' ' GLU . 33.3 p -102.83 -36.49 8.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.23 -21.87 9.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.409 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 43.1 m170 -47.25 164.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.823 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.881 0.372 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.489 ' HD3' ' CA ' ' A' ' 89' ' ' SER . 3.5 tppp? -143.87 146.35 32.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' GLY . 41.9 t -91.67 107.3 19.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 15.2 ttm -51.86 -46.21 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -40.66 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.3 p -91.86 -51.87 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 115.92 54.24 0.36 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.498 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 90' ' ' PHE . 13.0 m-70 -108.4 119.07 38.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.489 ' CA ' ' HD3' ' A' ' 82' ' ' LYS . 69.7 p -91.53 107.64 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.611 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 68.5 m-85 -104.22 133.24 49.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.02 -42.58 97.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.7 m -98.06 140.51 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 39.7 tp -56.41 -45.96 80.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.459 ' O ' ' CG1' ' A' ' 98' ' ' VAL . 70.4 tp60 -48.53 -44.21 36.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.611 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.8 m-20 -59.83 -49.45 77.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.535 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -59.11 -49.52 77.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 100' ' ' MET . 21.0 t -67.1 -69.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 94' ' ' GLN . 7.2 p -37.52 -30.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.453 ' N ' HG12 ' A' ' 98' ' ' VAL . 2.2 t60 -66.33 -46.19 77.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' SER . 6.0 mtt -67.41 -22.45 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 12.0 mm -77.06 -30.95 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -89.4 -56.29 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.6 p -70.37 -14.36 62.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 55.85 54.23 8.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -91.11 -45.32 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.547 ' CE2' HD13 ' A' ' 32' ' ' LEU . 87.5 m-85 -107.64 149.23 28.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -141.23 117.31 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.8 t -63.37 125.42 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -86.34 25.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 -56.61 1.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.6 p -106.03 177.49 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.2 t -91.5 41.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.53 149.71 42.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.08 139.84 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -116.95 168.46 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -95.47 -43.55 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.793 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.0 p -101.13 156.57 17.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD13 ' CE2' ' A' ' 20' ' ' PHE . 39.5 tp -74.98 -41.38 59.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 34' ' ' GLU . 2.8 p -53.43 -41.78 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.422 ' N ' HG11 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -69.55 -34.21 73.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.7 tp -70.64 -61.97 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' VAL . 45.3 p -38.81 -68.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 38' ' ' HIS . 7.4 p -35.54 -40.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.438 ' N ' HG12 ' A' ' 37' ' ' VAL . 6.4 t60 -74.47 -48.07 29.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' GLY . 41.4 mtm -56.65 -45.49 81.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -68.35 -51.46 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -54.77 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.6 p -71.46 -32.81 68.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.173 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 98.42 27.57 8.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -91.87 -178.94 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.334 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.843 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.447 HD22 ' CD2' ' A' ' 93' ' ' LEU . 79.9 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 150.15 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 87' ' ' GLY . 34.7 t -100.92 103.34 14.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -54.64 -48.33 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.632 ' CE1' ' CD2' ' A' ' 105' ' ' HIS . 4.0 t80 -34.26 -67.93 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 105' ' ' HIS . 28.0 p -101.37 -49.28 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 111.88 73.29 0.67 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.446 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -131.49 150.14 52.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.1 p -100.88 155.46 17.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.581 ' CD1' HD22 ' A' ' 96' ' ' LEU . 63.8 m-85 -150.16 172.22 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -96.62 -57.98 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -110.92 171.59 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' LEU . 16.8 mt -65.96 -53.06 43.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 93' ' ' LEU . 40.4 tp60 -36.94 -51.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.89 -41.48 78.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.581 HD22 ' CD1' ' A' ' 90' ' ' PHE . 2.7 tm? -68.13 -54.56 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.5 m -51.94 -52.3 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 80.9 t -53.45 -58.95 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -46.74 -52.01 14.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 104' ' ' LYS . 5.2 mmm -56.78 -71.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.0 mt -44.05 -37.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -70.31 -35.24 73.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 78.6 p -105.53 15.99 26.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' MET . 87.1 mttt 42.25 42.77 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.632 ' CD2' ' CE1' ' A' ' 85' ' ' TYR . 22.0 m170 -85.92 -30.49 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mptt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.831 0.348 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -109.73 155.22 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -141.29 132.43 26.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.8 t -85.64 74.99 10.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 24' ' ' ASP . 10.9 tptm -31.98 -62.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 23' ' ' LYS . 2.7 m-20 -30.09 -60.71 0.17 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' CYS . 29.1 p -106.17 -173.69 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 m -100.48 39.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.2 158.7 24.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.1 159.87 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.419 ' CD2' ' HA ' ' A' ' 35' ' ' LEU . 98.7 m-85 -138.96 166.92 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.21 -39.18 18.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.6 p -114.31 151.88 32.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.95 -50.02 68.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.2 m -49.73 -29.99 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -81.75 -22.97 36.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.419 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 28.6 tp -86.84 -57.24 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' MET . 1.3 t -44.12 -59.29 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 38' ' ' HIS . 11.8 p -39.2 -28.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' THR . 10.3 t60 -91.55 -37.9 12.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' THR . 51.7 mtm -68.89 -51.44 40.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -60.82 -38.51 85.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.94 -68.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.7 p -63.54 -48.04 79.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.192 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.57 -23.81 2.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -51.0 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 9.1 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.913 0.387 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.433 ' HG3' ' C ' ' A' ' 88' ' ' HIS . 18.8 ttpt -84.82 167.58 15.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 44.8 t -111.66 127.04 55.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.4 ttp -66.27 -28.73 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.442 ' CB ' ' HB3' ' A' ' 105' ' ' HIS . 22.0 t80 -63.7 -72.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.622 ' SG ' ' CE1' ' A' ' 88' ' ' HIS . 3.1 p -82.7 -59.48 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.45 68.25 0.57 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.451 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.622 ' CE1' ' SG ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -135.39 107.02 6.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.0 p -63.36 123.79 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.471 ' CE2' ' CD2' ' A' ' 88' ' ' HIS . 35.5 m-85 -108.2 -173.68 2.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -132.1 -31.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.2 m -103.41 123.96 47.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.3 tp -51.01 -33.95 27.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.493 ' O ' ' CG2' ' A' ' 98' ' ' VAL . 9.7 tp60 -62.66 -44.91 95.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.13 -33.97 67.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.427 ' C ' HD11 ' A' ' 96' ' ' LEU . 3.0 tm? -86.29 -65.13 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.5 t -43.91 -28.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 94' ' ' GLN . 97.1 t -85.62 -64.87 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.411 ' CE1' ' HE1' ' A' ' 88' ' ' HIS . 7.1 t60 -37.09 -52.14 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 104' ' ' LYS . 30.5 mmm -43.56 -54.19 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.4 mp -71.74 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -38.38 -42.38 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.1 p -99.09 -18.61 17.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.3 OUTLIER 63.83 38.28 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 85' ' ' TYR . 11.6 m170 -65.79 -47.86 73.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.1 p90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -179.842 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 30.0 m-85 -102.9 167.72 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -148.41 151.24 34.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -102.65 130.64 49.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -65.03 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.439 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . 13.5 t0 -43.52 -69.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.8 164.56 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 t -95.04 40.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.61 121.01 44.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.27 163.73 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -138.59 159.39 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -82.75 -45.25 14.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -109.02 150.36 27.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 34.9 tp -66.92 -50.81 61.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.8 m -46.95 -28.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.92 -35.55 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 tp -75.94 -49.93 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' MET . 33.3 p -46.4 -65.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.1 p -41.17 -31.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -83.27 -36.7 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' THR . 34.1 mtm -62.8 -44.79 95.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -74.3 -39.51 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.84 -61.41 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.9 p -81.52 -38.8 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.76 23.64 5.55 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.543 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 41.4 m170 -88.41 -174.28 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 21.9 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.943 0.401 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -92.37 159.55 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.418 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 11.8 t -93.63 143.83 25.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.7 ttp -83.48 -34.41 25.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.639 ' CD2' ' CE1' ' A' ' 105' ' ' HIS . 35.2 t80 -68.88 -75.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.96 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.509 ' N ' ' CD2' ' A' ' 85' ' ' TYR . 29.8 p -90.65 -47.71 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 98.97 91.42 2.01 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.41 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 6.6 t-160 -131.08 104.98 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.1 p -62.44 142.1 58.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.5 ' CD1' ' CG ' ' A' ' 95' ' ' ASP . 78.4 m-85 -136.04 -178.76 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.37 -45.86 3.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.7 p -113.29 143.82 43.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' GLN . 13.7 tp -50.37 -44.28 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' LEU . 48.2 tp60 -36.16 -55.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.5 ' CG ' ' CD1' ' A' ' 90' ' ' PHE . 4.7 t0 -50.42 -62.51 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 100' ' ' MET . 1.1 tm? -47.16 -60.04 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.8 t -48.42 -31.25 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 99' ' ' HIS . 6.8 t -82.89 -68.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 98' ' ' VAL . 9.6 t60 -33.75 -45.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.475 ' CG ' HD12 ' A' ' 96' ' ' LEU . 16.5 mmm -54.6 -64.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 76.1 mt -54.96 -45.22 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -51.03 -53.86 29.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 104' ' ' LYS . 37.9 p -98.08 21.41 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 104' ' ' LYS . 6.6 pttt 33.04 45.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.639 ' CE1' ' CD2' ' A' ' 85' ' ' TYR . 35.6 m170 -78.6 -25.91 45.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.891 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 25.4 m-85 -111.04 164.91 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -156.14 134.34 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 23' ' ' LYS . 13.9 t -93.58 78.82 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 22' ' ' CYS . 9.1 tttt -33.93 -54.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.2 m-20 -34.2 -61.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.55 -177.77 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -96.02 39.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.66 148.95 43.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.61 170.26 16.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -147.81 168.76 21.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.898 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.86 -39.91 8.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.7 p -104.05 147.8 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 48.3 tp -67.88 -46.43 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 34' ' ' GLU . 4.4 p -49.32 -38.85 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.473 ' N ' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -70.36 -47.21 61.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.15 -55.64 31.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -40.78 -61.43 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.2 t -39.2 -51.21 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -64.81 -49.81 69.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' GLY . 17.3 mtm -47.3 -45.66 24.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -80.22 -59.91 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -38.15 -41.41 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.3 p -100.01 -40.76 7.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 39' ' ' MET . . . 127.37 -32.52 3.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.593 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -43.97 167.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.824 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.865 0.365 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -125.67 149.48 48.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.1 t -74.93 151.77 38.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.7 mtt -92.2 -35.13 14.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -68.12 -70.0 0.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 87' ' ' GLY . 28.7 p -93.78 -47.91 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 86' ' ' CYS . . . 97.94 87.05 1.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 5.2 t60 -126.28 119.09 26.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.7 p -68.56 118.4 11.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 88' ' ' HIS . 96.7 m-85 -112.52 172.94 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -103.25 -48.46 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.2 m -112.55 165.62 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -63.89 -54.08 40.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -39.69 -42.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -59.84 -48.06 83.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.501 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 1.1 tm? -62.85 -56.28 18.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.4 p -51.23 -61.85 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 99' ' ' HIS . 31.7 t -46.61 -69.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.468 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.0 t60 -32.82 -47.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.0 mmm -64.81 -71.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.8 mt -42.99 -32.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -77.38 -46.49 22.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 104' ' ' LYS . 61.3 p -94.76 16.85 14.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 100' ' ' MET . 39.2 mtpt 34.04 49.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -84.85 -34.94 22.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mptt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -108.23 131.19 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -125.06 124.13 41.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 23' ' ' LYS . 36.4 t -75.96 80.75 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 22' ' ' CYS . 13.6 tptm -33.49 -53.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' LYS . 8.5 t0 -35.32 -68.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' CYS . 27.5 p -102.2 -176.56 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -94.19 36.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -115.91 163.86 15.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.27 158.51 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -134.11 154.94 50.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -46.33 36.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.6 p -108.34 147.81 30.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -67.41 -44.29 79.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -48.79 -25.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -89.94 -40.29 12.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.3 tp -63.74 -46.84 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 45.8 p -44.2 -62.38 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 71.0 t -36.27 -54.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -62.18 -49.37 76.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 43' ' ' GLY . 29.4 mtm -51.06 -52.94 38.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.94 -51.82 43.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -51.1 -63.83 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.2 p -73.64 -28.56 61.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 95.43 27.87 10.26 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' MET . 17.0 m170 -94.07 -176.63 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.409 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 23.6 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.436 ' CE ' ' HB3' ' A' ' 89' ' ' SER . 7.3 ttmt -137.82 149.41 46.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 87' ' ' GLY . 42.5 t -100.64 110.05 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -45.75 86.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -37.88 -59.3 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.5 p -106.39 -52.21 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 110.2 50.14 0.68 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -107.89 121.26 44.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.436 ' HB3' ' CE ' ' A' ' 82' ' ' LYS . 88.8 p -78.42 147.88 33.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 92.8 m-85 -139.18 -175.06 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -114.49 -52.95 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.4 p -113.62 159.49 19.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -51.69 -52.49 47.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 93' ' ' LEU . 39.1 tp60 -36.38 -62.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.567 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 4.2 m-20 -45.06 -46.59 11.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.553 HD22 ' CD2' ' A' ' 90' ' ' PHE . 2.7 tm? -64.6 -55.15 22.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 99' ' ' HIS . 40.9 m -55.92 -65.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 99' ' ' HIS . 11.0 p -42.39 -24.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.469 ' N ' HG13 ' A' ' 98' ' ' VAL . 3.6 t60 -84.29 -54.19 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 mmt -51.81 -40.07 59.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.425 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 19.7 mt -68.93 -57.0 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -55.59 -57.25 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.5 p -71.94 -21.89 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER 61.69 52.94 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -92.45 -47.42 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.8 p90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.838 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mptt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.772 0.32 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 60.4 m-85 -107.01 142.7 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -136.02 134.73 38.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LYS . 8.0 t -94.61 80.07 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.7 tttp -34.25 -56.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.0 m-20 -34.04 -59.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.457 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 30.0 p -105.78 -177.37 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 p -100.77 41.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.87 172.0 7.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.08 167.52 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -146.97 169.78 18.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -93.68 -42.65 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.2 p -109.98 153.98 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 15.8 tp -73.24 -45.88 53.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -49.8 -22.24 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -89.18 -44.32 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.65 -50.85 69.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' VAL . 21.0 p -42.23 -65.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 53.2 t -37.3 -50.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -66.2 -44.4 84.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.9 mtm -51.85 -49.13 63.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -76.9 -50.24 13.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -43.97 -50.76 8.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.1 p -88.34 -46.16 9.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.91 -36.56 1.67 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 4.6 m170 -45.04 165.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.867 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.584 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.41 ' HG3' ' C ' ' A' ' 88' ' ' HIS . 18.4 tttt -146.36 120.21 9.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 46.2 t -55.97 144.75 27.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.5 ttm -93.02 -25.84 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 4.2 t80 -64.22 -57.07 10.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.1 p -98.11 -51.62 3.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 108.09 50.66 0.76 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.41 ' C ' ' HG3' ' A' ' 82' ' ' LYS . 9.6 m170 -111.84 135.24 52.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.812 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.8 t -85.66 139.63 31.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.539 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 73.4 m-85 -119.53 142.51 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.83 -32.03 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.5 p -116.72 149.59 39.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.6 -40.74 96.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 95' ' ' ASP . 0.7 OUTLIER -57.43 -30.34 64.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.539 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 2.3 m-20 -67.61 -45.33 75.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 2.2 tm? -52.33 -56.99 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.4 t -64.82 -51.64 61.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.3 t -48.51 -39.82 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -71.69 -45.61 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 104' ' ' LYS . 8.2 mtt -50.87 -43.97 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 60.4 mt -79.47 -50.38 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -49.31 -28.67 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.538 ' HB ' ' CD2' ' A' ' 105' ' ' HIS . 46.5 p -117.81 -6.48 11.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 100' ' ' MET . 6.5 mtpm? 56.22 40.54 29.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.538 ' CD2' ' HB ' ' A' ' 103' ' ' THR . 13.6 m170 -74.23 -41.22 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.5 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.886 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.822 0.344 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 46.0 m-85 -101.57 144.68 30.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -124.25 179.11 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.0 t -121.55 93.47 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -38.09 -26.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' CYS . 2.4 m-20 -79.29 -75.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' CYS . 31.4 p -93.3 157.8 16.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -81.45 39.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.22 120.11 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.66 166.39 10.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -139.43 155.74 47.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -42.55 67.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.0 p -117.83 145.78 44.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 17.9 tp -67.54 -48.26 67.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -44.95 -34.22 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -79.48 -42.5 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.09 -52.5 62.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 37' ' ' VAL . 33.2 p -40.03 -60.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 41' ' ' GLU . 91.9 t -37.41 -49.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -65.95 -55.34 17.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 44' ' ' HIS . 22.7 mtm -45.31 -48.72 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -73.92 -54.26 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 3.0 mm-40 -45.65 -59.27 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.6 p -73.55 -50.83 19.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.45 -29.51 1.89 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 39' ' ' MET . 27.3 m170 -50.22 165.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.85 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 92' ' ' SER . 20.6 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.901 0.381 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -145.29 121.42 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -58.82 150.67 23.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 26.4 tpp -98.85 -31.79 11.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.511 ' CD1' ' CE1' ' A' ' 105' ' ' HIS . 3.2 t80 -54.73 -58.18 8.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 23.3 p -104.57 -50.4 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.7 64.54 0.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -120.84 141.15 50.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.8 p -81.12 151.78 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CE1' HD23 ' A' ' 96' ' ' LEU . 77.8 m-85 -136.15 -177.58 4.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -107.0 -54.96 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.499 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 19.3 p -135.03 170.53 15.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.427 ' N ' HD11 ' A' ' 81' ' ' LEU . 2.8 mm? -47.47 -51.83 19.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.66 -58.44 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.02 -44.33 64.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' ' 90' ' ' PHE . 1.5 tm? -63.46 -65.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 98' ' ' VAL . 18.3 t -38.42 -65.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 102' ' ' LYS . 53.4 t -34.95 -71.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' VAL . 11.6 t60 -37.62 -59.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' LYS . 4.4 mmt -48.75 -36.71 17.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' VAL . 23.1 mt -78.03 -62.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 98' ' ' VAL . 37.7 mttp -48.38 -30.9 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.463 ' OG1' ' CD2' ' A' ' 105' ' ' HIS . 34.1 p -105.66 -16.36 14.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER 61.67 49.27 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.511 ' CE1' ' CD1' ' A' ' 85' ' ' TYR . 20.9 m170 -86.88 -24.43 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 -179.871 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 24.9 m-85 -88.75 174.6 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -153.94 156.09 36.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 t -108.01 128.54 54.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 0.6 OUTLIER -69.57 -61.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.511 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.8 m-20 -44.84 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.802 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.6 p -92.52 161.52 14.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -92.89 40.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.53 121.11 42.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.67 168.1 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -139.29 168.94 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -93.15 -42.19 9.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.1 p -113.6 146.63 39.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.211 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 50.8 tp -62.46 -52.03 65.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.8 p -45.34 -32.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -79.34 -33.65 42.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.34 -54.78 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 39' ' ' MET . 44.2 p -44.15 -65.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -39.27 -35.78 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -80.58 -39.11 28.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' THR . 33.1 mtm -60.23 -37.7 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -84.02 -45.84 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -54.25 -43.85 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.8 p -91.23 -46.1 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.16 -28.46 3.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.511 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 12.1 m170 -47.13 160.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.832 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.472 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.899 0.381 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -145.98 125.43 13.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.28 155.73 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.3 mtm -97.97 -29.4 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.613 ' CD2' ' CD2' ' A' ' 105' ' ' HIS . 84.0 t80 -76.1 -72.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 105' ' ' HIS . 30.6 p -79.34 -42.63 25.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.02 79.64 1.17 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.91 136.08 35.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.5 p -82.49 131.81 35.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.498 ' CD2' HD21 ' A' ' 96' ' ' LEU . 93.3 m-85 -113.12 145.27 41.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.41 -44.2 79.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.6 p -116.51 163.49 15.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.777 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -72.24 -45.13 61.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -48.14 -44.14 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.91 -45.0 78.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD21 ' CD2' ' A' ' 90' ' ' PHE . 3.3 tm? -55.41 -50.27 70.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 71.0 m -59.86 -66.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 99' ' ' HIS . 14.5 p -50.04 -28.45 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.462 ' N ' HG13 ' A' ' 98' ' ' VAL . 7.7 t60 -65.53 -54.91 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.7 mmt -49.67 -64.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.0 mp -48.68 -41.25 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -63.45 -39.62 94.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 104' ' ' LYS . 47.7 p -106.7 19.72 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 100' ' ' MET . 16.0 mttp 34.27 42.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.613 ' CD2' ' CD2' ' A' ' 85' ' ' TYR . 38.4 m170 -80.79 -37.66 29.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.85 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -102.15 155.01 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -142.97 141.17 31.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 t -79.23 130.49 35.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.78 24.07 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.479 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . 7.0 t70 -126.44 -53.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.3 p -111.56 -178.85 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -91.33 36.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.86 152.13 35.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.148 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.73 170.56 15.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -148.14 172.6 14.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -98.07 -42.09 7.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -107.37 134.06 50.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -53.55 -56.0 20.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.954 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -41.35 -24.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.1 mt-10 -91.01 -32.39 15.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 32' ' ' LEU . 59.0 tp -76.66 -48.92 17.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 39' ' ' MET . 1.2 t -49.77 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.477 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 14.4 p -37.25 -31.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' THR . 7.0 t60 -87.28 -40.14 14.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 36' ' ' THR . 67.4 mtm -66.76 -52.35 45.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.56 -27.9 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 27.6 mm-40 -77.41 -71.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.0 p -66.14 -3.95 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.77 -18.03 46.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.479 ' CG ' ' HB3' ' A' ' 24' ' ' ASP . 32.9 m170 -54.04 -178.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.443 ' C ' ' SD ' ' A' ' 39' ' ' MET . 1.5 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 89' ' ' SER . 3.9 tppp? -130.11 137.96 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.564 ' O ' ' N ' ' A' ' 87' ' ' GLY . 22.6 t -90.81 103.14 15.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.798 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' TYR . 28.6 mmm -47.11 -48.66 22.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 84' ' ' MET . 19.8 t80 -37.16 -66.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 18.7 p -101.24 -51.97 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 109.69 61.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.471 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 9.0 m170 -118.26 105.5 11.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.457 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 88.1 p -63.4 146.95 52.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.569 ' CD2' HD21 ' A' ' 96' ' ' LEU . 97.7 m-85 -131.58 -179.14 5.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 9.5 pm0 -118.28 -37.75 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.77 148.32 42.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.771 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.14 -47.81 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 96' ' ' LEU . 2.9 tt0 -45.16 -66.15 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.525 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.2 m-20 -36.94 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.569 HD21 ' CD2' ' A' ' 90' ' ' PHE . 2.4 tm? -87.49 -57.72 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.413 ' O ' HD11 ' A' ' 101' ' ' ILE . 23.1 t -52.36 -18.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.418 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 7.2 p -95.93 -47.9 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.549 ' HA ' ' CG ' ' A' ' 102' ' ' LYS . 7.8 t60 -47.27 -50.52 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.795 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.7 mmt -51.48 -43.04 62.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.413 HD11 ' O ' ' A' ' 97' ' ' SER . 1.8 mp -73.19 -65.9 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.549 ' CG ' ' HA ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -44.66 -33.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.823 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.1 p -105.21 -6.51 19.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER 48.1 52.41 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -89.56 -52.24 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 100' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.979 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 mptt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 23.3 m-85 -113.52 154.26 27.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -148.06 122.53 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' LYS . 4.0 t -73.37 77.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' CYS . 8.6 tttm -35.91 -51.36 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -39.18 -70.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 32.0 p -90.95 177.92 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.3 p -93.44 39.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.67 160.07 30.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.93 169.04 18.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -145.84 154.91 42.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.38 -42.21 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.2 p -106.28 146.08 30.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 63.0 tp -66.47 -49.2 67.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.76 -18.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.52 -30.42 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 tp -78.69 -53.35 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.0 p -42.05 -66.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -37.41 -37.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -78.15 -45.61 22.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' A' ' 45' ' ' TYR . 54.9 mtm -58.08 -43.95 87.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -76.05 -28.7 57.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -69.9 -45.24 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.797 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.9 p -93.19 -30.29 15.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.149 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.12 -21.17 8.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.407 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.48 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 15.8 m170 -52.14 179.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.462 ' C ' ' SD ' ' A' ' 39' ' ' MET . 10.1 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.823 0.344 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.43 ' CB ' ' HA ' ' A' ' 89' ' ' SER . 1.3 ptmm? -129.62 130.89 46.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.503 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 2.6 t -55.31 147.32 17.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 14.9 ttm -85.65 -35.1 21.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.42 ' HB3' ' ND1' ' A' ' 105' ' ' HIS . 10.5 t80 -53.88 -63.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.4 p -94.54 -57.15 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 112.94 43.96 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.471 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 6.8 m170 -96.95 102.88 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.838 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.43 ' HA ' ' CB ' ' A' ' 82' ' ' LYS . 4.7 t -60.91 136.58 58.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 88' ' ' HIS . 83.7 m-85 -125.22 168.53 13.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -92.78 -53.25 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.1 p -107.69 164.07 12.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -42.72 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -47.8 -59.56 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.33 -35.86 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -73.4 -49.08 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 t -60.72 -66.18 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 99' ' ' HIS . 13.8 p -42.0 -27.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.485 ' N ' HG13 ' A' ' 98' ' ' VAL . 7.9 t60 -75.29 -50.45 16.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.503 ' HB3' ' CD1' ' A' ' 106' ' ' TYR . 5.2 mtt -47.03 -35.78 7.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.11 -50.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -52.73 -25.32 10.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 66.7 p -116.49 -18.06 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.21 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.46 41.32 12.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 85' ' ' TYR . 31.3 m170 -76.87 -52.9 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.852 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . 0.503 ' CD1' ' HB3' ' A' ' 100' ' ' MET . 2.9 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 24.4 m-85 -110.78 154.84 23.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.411 ' HG3' ' C ' ' A' ' 20' ' ' PHE . 25.7 mtm180 -146.42 128.68 15.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' LYS . 13.2 t -85.26 84.64 7.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 22' ' ' CYS . 22.2 tptt -34.11 -55.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' LYS . 14.8 t0 -35.98 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' CYS . 26.4 p -90.26 179.39 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -96.98 37.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.65 165.05 12.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.3 161.79 39.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.049 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -141.36 149.49 41.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.74 -41.78 59.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.2 p -111.34 156.29 21.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 62.7 tp -71.83 -46.68 57.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -49.96 -32.63 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -76.51 -31.46 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 tp -78.1 -49.04 14.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' MET . 32.8 p -43.54 -66.12 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -37.44 -41.47 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -72.62 -42.3 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' GLY . 24.6 mtm -59.58 -49.08 79.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -65.15 -49.43 69.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.99 -66.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.7 p -72.2 -48.75 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 116.02 30.53 2.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.512 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 21.8 m170 -93.83 -174.5 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.828 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 18.2 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 87' ' ' GLY . 17.0 mttm -127.63 171.28 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 87' ' ' GLY . 7.7 t -114.2 112.25 22.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.2 mtm -49.43 -49.09 46.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.452 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 2.0 t80 -40.67 -70.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.7 p -99.93 -53.17 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 108.56 74.07 0.82 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -126.93 116.81 21.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.3 p -74.36 135.0 42.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.473 ' CD2' HD22 ' A' ' 96' ' ' LEU . 96.2 m-85 -123.99 153.66 40.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -79.58 -45.78 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.2 m -114.0 162.97 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -53.65 31.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -38.64 -38.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -63.23 -48.31 78.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.527 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 1.7 tm? -63.17 -55.13 27.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.0 m -48.53 -58.98 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 99' ' ' HIS . 86.6 t -49.29 -66.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.8 t60 -33.68 -53.32 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 104' ' ' LYS . 5.5 mtp -44.55 -53.63 6.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.7 mp -70.43 -42.97 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -51.11 -30.33 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.3 p -123.54 4.91 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 100' ' ' MET . 27.6 mttp 50.0 39.78 19.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -72.57 -32.0 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.1 p90 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.828 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.82 0.343 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 52.8 m-85 -132.51 176.32 8.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -151.41 173.76 14.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 25' ' ' CYS . 2.6 t -116.69 125.33 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 10.7 pttt -58.34 -40.13 81.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.486 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.2 m-20 -72.39 -76.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' CYS . 27.7 p -82.84 159.97 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -88.97 40.31 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.44 177.32 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.64 161.39 39.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -139.9 171.04 14.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -92.86 -42.41 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.0 p -116.49 132.12 56.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.595 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -51.07 -62.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' LEU . 32.6 m -33.41 -37.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' LEU . 90.5 mt-10 -75.27 -50.48 15.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' LEU . 17.9 tp -52.58 -56.81 12.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -40.13 -54.46 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.0 t -41.16 -60.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -53.7 -44.4 69.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 29.2 mtm -58.6 -46.63 86.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -58.75 3.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -47.17 -63.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.9 p -66.73 -52.16 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.43 -20.55 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.419 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 17.6 m170 -55.29 -175.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.836 0.35 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 89' ' ' SER . 3.0 tptt -137.29 132.84 34.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 13.7 t -55.19 129.1 36.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.8 mtm -74.57 7.37 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -123.93 -58.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 87' ' ' GLY . 15.6 p -108.75 17.72 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 86' ' ' CYS . . . 32.07 68.94 0.13 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.49 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.514 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 2.6 t-160 -106.72 120.91 43.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.472 ' N ' ' HE3' ' A' ' 82' ' ' LYS . 25.2 p -61.7 144.97 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.53 ' CE2' ' CD2' ' A' ' 96' ' ' LEU . 90.9 m-85 -137.3 171.97 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -98.82 -47.04 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m -130.58 166.23 21.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.808 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -57.48 -59.16 5.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -37.77 -47.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -56.73 -39.7 74.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.537 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 2.2 tm? -71.8 -51.83 20.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.2 t -54.84 -38.0 66.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' A' ' 99' ' ' HIS . 23.7 t -71.98 -65.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.483 ' C ' ' O ' ' A' ' 98' ' ' VAL . 18.4 t60 -31.71 -57.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 104' ' ' LYS . 17.6 mmm -43.56 -64.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.2 mt -58.26 -40.86 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.425 ' CG ' HG12 ' A' ' 98' ' ' VAL . 20.0 mmtt -57.58 -34.86 69.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.6 p -111.94 9.62 20.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 100' ' ' MET . 30.9 mttt 48.95 43.67 21.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -83.79 -27.0 29.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 12.2 p90 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -179.875 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 60.3 m-85 -103.1 140.57 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -136.52 119.27 16.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' LYS . 8.3 t -77.27 81.46 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' ASP . 7.1 ttpp -36.85 -54.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.2 m-20 -34.38 -61.93 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.448 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 28.8 p -101.69 -175.71 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -100.8 39.81 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.25 173.53 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.25 167.75 29.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -147.61 159.2 44.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.6 -46.28 9.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -109.99 142.65 41.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 18.0 tp -58.13 -46.65 85.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -47.02 -20.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -91.2 -46.5 8.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.73 -51.38 65.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.9 p -42.59 -63.48 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.1 t -43.06 -43.9 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' CE1' HG21 ' A' ' 42' ' ' THR . 21.9 t60 -67.59 -41.99 83.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 43' ' ' GLY . 51.7 mtm -54.86 -45.39 74.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -79.98 -45.31 18.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.54 -37.67 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.42 HG21 ' CE1' ' A' ' 38' ' ' HIS . 60.9 p -102.1 -42.74 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.226 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 131.73 -36.06 2.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 8.8 m170 -43.78 167.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.8 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -134.15 139.79 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' GLY . 16.6 t -90.73 107.49 19.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.6 ttp -53.51 -44.18 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' TYR . . . . . 0.417 ' CD1' ' CD2' ' A' ' 105' ' ' HIS . 17.2 t80 -41.54 -70.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 26.6 p -93.5 -48.97 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 105.15 58.74 0.66 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -120.89 117.42 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.2 p -72.81 132.65 43.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CD2' HD21 ' A' ' 96' ' ' LEU . 94.1 m-85 -114.84 -175.55 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.72 -43.18 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.6 m -115.4 154.11 29.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -59.28 -55.3 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' LEU . 35.9 tp60 -36.01 -48.33 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.496 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.6 OUTLIER -57.51 -53.52 57.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 90' ' ' PHE . 1.8 tm? -59.11 -50.44 74.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.2 m -54.26 -52.52 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 99' ' ' HIS . 98.1 t -62.85 -69.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.6 t60 -33.25 -40.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.0 mmt -58.32 -68.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.7 mp -56.55 -40.26 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -53.75 -38.45 64.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 78.7 p -114.69 11.6 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 100' ' ' MET . 2.6 mppt? 47.72 36.65 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' HIS . . . . . 0.417 ' CD2' ' CD1' ' A' ' 85' ' ' TYR . 24.8 m170 -74.33 -19.82 60.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -170.35 108.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 p -171.41 151.88 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.43 176.54 43.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -149.87 154.17 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 p -169.31 174.39 6.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.98 82.95 0.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -116.6 87.76 2.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.33 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 tp -131.36 149.45 52.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -120.87 171.87 8.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.69 64.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -127.97 36.88 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.913 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -62.03 137.31 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -106.78 127.27 53.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 47.0 p -133.5 107.49 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.42 133.21 3.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.78 163.39 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.0 p -139.94 130.91 26.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -68.69 -65.22 0.73 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -107.07 161.12 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.435 ' HD3' ' N ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -145.62 151.24 37.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 51.6 t -97.52 136.81 37.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -71.0 -61.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.497 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.4 m-20 -43.95 -73.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.13 178.05 5.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.0 m -102.25 40.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.81 109.51 21.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.057 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.64 156.32 16.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -134.25 172.62 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -102.18 -42.57 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 71.4 p -108.18 136.44 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.9 tp -57.58 -41.09 80.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.2 p -53.85 -25.71 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -84.96 -41.04 16.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.8 tp -63.79 -57.43 9.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.9 p -42.16 -50.68 4.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 54.8 t -48.21 -43.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.058 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.456 ' CE1' HG22 ' A' ' 42' ' ' THR . 40.2 t60 -71.9 -41.85 67.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 8.4 mtm -54.64 -35.91 63.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -90.94 -47.85 7.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -49.0 -55.11 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.456 HG22 ' CE1' ' A' ' 38' ' ' HIS . 42.3 p -88.92 -40.5 13.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.61 -29.18 4.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.497 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 14.1 m170 -47.37 174.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 0.0 110.805 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -147.22 167.33 24.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' N ' ' SD ' ' A' ' 39' ' ' MET . 9.8 ptt180 -58.69 176.13 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -114.17 -35.67 4.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -34.63 147.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -38.91 148.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -121.49 131.96 54.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -106.06 68.72 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.8 m -105.29 32.37 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -151.63 138.59 19.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -116.44 -43.78 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -54.39 111.94 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.809 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -102.09 97.18 7.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.686 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -6.38 18.45 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.05 116.9 23.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -66.07 140.46 58.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -105.77 149.04 26.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.4 m -57.02 -177.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.001 0.429 . . . . 0.0 110.796 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -43.72 149.07 0.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.721 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 177.05 6.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -90.66 149.93 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -150.34 145.13 25.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -150.29 150.28 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.0 m -78.41 139.22 38.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -118.97 70.65 0.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -49.65 178.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 69' ' ' LEU . 21.2 mt-10 -164.2 134.8 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.41 161.89 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.13 171.26 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -120.62 -141.24 6.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -81.0 83.55 6.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -102.02 131.55 48.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -144.57 109.95 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.69 76.92 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -100.75 175.11 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -133.2 34.73 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 81' ' ' LEU . 7.2 p -157.12 142.31 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' N ' HG23 ' A' ' 80' ' ' VAL . 7.2 mt -56.04 121.19 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -145.08 128.84 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 47.7 t -72.05 131.39 42.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.5 ttp -78.11 -19.86 53.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 3.8 t80 -71.67 -60.76 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.0 p -95.1 -54.38 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 104.06 71.83 0.87 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.481 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 5.9 t-160 -139.3 106.68 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 m -57.52 149.11 21.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.559 ' CD2' HD23 ' A' ' 96' ' ' LEU . 97.7 m-85 -130.92 175.24 9.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -106.22 -47.34 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -112.91 160.92 17.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 30.6 mt -60.41 -55.13 37.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' LEU . 43.6 tp60 -37.78 -60.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.473 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 4.0 m-20 -41.82 -41.64 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.559 HD23 ' CD2' ' A' ' 90' ' ' PHE . 2.0 tm? -72.75 -54.15 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.6 m -57.97 -62.36 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.431 HG13 ' N ' ' A' ' 99' ' ' HIS . 7.8 p -48.12 -21.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.431 ' N ' HG13 ' A' ' 98' ' ' VAL . 6.1 t60 -83.78 -47.76 10.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 5.8 mtp -51.44 -30.73 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 17.5 mt -88.76 -53.56 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 8.8 mtpm? -54.51 -22.65 13.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.1 p -116.24 -14.42 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 53.49 46.37 26.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -81.77 -34.03 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -65.59 -22.42 66.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -35.85 55.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.12 90.2 3.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 1.6 m -121.07 -3.76 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.1 m -150.16 -175.05 4.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -171.14 -113.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -178.59 2.4 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 t -138.6 141.21 39.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.8 p -91.33 -58.8 2.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -160.33 125.99 4.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -160.67 163.13 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -94.93 -87.64 1.71 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.7 p 38.13 49.81 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.863 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -53.47 104.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.33 -149.04 7.33 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' O ' ' CE ' ' A' ' 84' ' ' MET . 18.6 mmtp -140.75 109.82 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.409 ' CD1' ' HB3' ' A' ' 82' ' ' LYS . 2.0 tt -169.52 140.15 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -86.35 138.76 31.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.24 -127.16 5.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 t -174.56 130.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.8 pt -86.55 137.64 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 15' ' ' THR . 22.9 t80 -97.85 89.33 4.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 14' ' ' PHE . 32.4 p 31.6 49.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.61 -165.97 2.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.558 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.68 167.13 21.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 28' ' ' ALA . 78.8 p -120.08 101.24 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -88.85 -58.05 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -82.59 145.26 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 mtp85 -135.78 131.33 35.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.33 144.54 31.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ASP . 12.9 tttm -78.57 -65.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.3 m-20 -34.52 -65.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.8 p -100.36 -175.19 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.7 p -107.97 47.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.38 168.06 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.419 ' CB ' ' HB2' ' A' ' 18' ' ' SER . . . -155.23 140.34 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -123.45 166.55 15.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.0 -40.68 10.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 p -108.86 135.65 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.7 tp -57.91 -49.03 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.0 p -45.07 -40.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.232 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -72.59 -39.77 67.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' THR . 28.9 tp -65.13 -60.92 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 7.9 p -37.11 -43.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.2 t -56.01 -55.76 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -58.34 -31.25 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.426 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 18.7 mtm -68.03 -55.09 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -69.46 -29.64 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -71.01 -68.45 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.1 p -74.18 2.2 9.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.41 -31.71 4.08 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 42.4 m170 -43.74 159.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -138.37 166.67 23.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' N ' ' SD ' ' A' ' 39' ' ' MET . 3.6 tpp85 -49.06 158.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.41 -50.01 4.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -74.02 174.38 8.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -63.93 119.03 9.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -62.86 167.51 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -152.95 160.0 43.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.9 p -120.81 128.09 52.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.075 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.85 -23.67 22.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -120.89 133.25 55.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.58 89.99 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -135.09 144.64 50.99 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -18.29 36.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.25 . . . . 0.0 112.318 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -66.64 89.88 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -88.15 39.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -61.61 94.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.8 m -71.03 145.48 49.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.46 153.95 91.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.558 0.694 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -178.68 2.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.391 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 12.6 ttp-105 -123.09 23.38 9.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.8 152.87 21.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -50.74 126.73 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 m -139.58 141.82 37.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mp -125.48 71.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.3 mt -76.73 132.63 39.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -112.84 31.77 6.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.61 176.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -38.52 132.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.1 -57.45 0.42 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -78.11 95.98 5.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.74 0.305 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 2.5 tt0 -121.1 81.0 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -134.91 57.17 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.59 83.4 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -42.09 149.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.01 -30.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.463 HG22 ' N ' ' A' ' 81' ' ' LEU . 2.0 p -119.81 142.25 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.558 ' CD1' ' C ' ' A' ' 92' ' ' SER . 10.9 mt -38.7 126.72 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 89' ' ' SER . 2.1 tptp -141.37 140.86 33.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 19.0 t -74.54 158.21 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' A' ' 8' ' ' LYS . 2.3 mpt? -97.4 -38.89 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 4.5 t80 -63.4 -61.82 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 29.8 p -102.42 -49.41 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 100.39 81.96 1.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.562 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 7.0 m170 -122.61 126.42 47.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.35 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.467 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 80.6 p -74.04 114.74 12.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.562 ' CE2' ' O ' ' A' ' 88' ' ' HIS . 41.2 m-85 -107.65 140.86 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -63.68 -32.84 74.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.558 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 53.8 p -154.41 165.49 36.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -50.92 -46.43 60.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' LEU . 25.2 tp60 -35.89 -65.14 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.0 -42.81 80.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.532 HD23 ' CE2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -52.28 -57.22 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.8 m -52.58 -61.24 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.04 -50.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.421 ' ND1' HG22 ' A' ' 103' ' ' THR . 5.0 t60 -60.72 -45.48 94.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 104' ' ' LYS . 9.1 mtt -59.08 -51.58 69.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.51 -48.95 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -61.43 -64.31 0.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.421 HG22 ' ND1' ' A' ' 99' ' ' HIS . 31.4 p -66.82 -20.94 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' MET . 6.5 mmtp 62.97 53.13 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.414 ' ND1' ' HB3' ' A' ' 85' ' ' TYR . 34.8 m170 -95.22 -33.77 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.46 ' CE1' ' HG3' ' A' ' 107' ' ' GLN . 1.4 p90 -80.33 -26.26 38.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.46 ' HG3' ' CE1' ' A' ' 106' ' ' TYR . 8.4 mt-30 -67.77 -58.86 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -37.72 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.2 t -41.63 -48.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.8 m -53.64 179.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.47 113.82 3.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 179.56 3.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.291 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.4 m -160.27 121.01 2.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -139.2 176.36 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -125.76 176.8 6.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -166.01 171.7 12.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.63 157.14 24.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -173.59 112.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.979 0.418 . . . . 0.0 110.813 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -72.03 155.88 39.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.23 146.78 6.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' C ' ' HE3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -127.34 84.28 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.3 mt -128.75 159.16 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -132.51 56.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.36 90.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.8 p -126.93 85.64 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -91.57 42.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.75 103.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 16' ' ' GLY . 88.4 m -148.97 137.04 20.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 15' ' ' THR . . . 76.53 172.35 34.98 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.51 -178.19 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.2 m -122.59 120.5 33.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -64.86 -53.13 51.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 61.2 m-85 -113.93 161.02 18.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -149.94 127.08 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.71 135.51 41.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -71.87 -64.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -44.82 -66.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.6 p -96.97 155.68 16.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -84.46 36.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -99.7 127.25 45.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.56 155.68 27.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -134.45 159.42 41.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.77 -48.05 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 61.6 p -112.72 143.63 43.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' LEU . 21.5 tp -52.91 -49.9 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.7 m -40.27 -44.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -68.35 -33.96 75.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' LEU . 24.6 tp -71.74 -53.2 14.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.427 ' O ' ' N ' ' A' ' 39' ' ' MET . 39.4 p -48.76 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.412 HG13 ' N ' ' A' ' 38' ' ' HIS . 10.5 p -36.82 -33.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' THR . 8.9 t60 -82.78 -45.24 14.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' THR . 38.0 mtm -56.5 -43.11 79.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -71.25 -51.33 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -51.11 -66.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.6 p -70.1 -48.97 55.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.64 27.75 2.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.508 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 14.8 m170 -90.21 -175.34 4.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 24.2 m-85 -150.27 140.38 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -50.97 175.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -131.62 36.13 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.35 172.42 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.785 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -94.2 136.25 34.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -161.03 177.67 10.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -89.85 165.83 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.801 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.4 p -138.54 163.22 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.176 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -54.3 -22.14 11.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -104.38 171.11 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -133.85 122.72 23.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -101.23 130.69 24.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.557 0.694 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -3.19 11.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -90.69 46.02 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 13.9 ptt180 -115.17 90.21 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.95 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.481 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 13.8 m95 -172.29 178.35 2.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.6 p -165.8 163.58 18.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 148.2 39.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -179.22 2.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.736 2.291 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.447 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -162.79 144.04 10.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.818 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -82.33 164.04 21.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -136.65 172.75 12.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 p -106.86 153.24 22.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.795 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mp -131.27 73.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.474 ' N ' HD23 ' A' ' 69' ' ' LEU . 4.2 mm? -108.99 128.06 54.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.45 ' CD ' ' O ' ' A' ' 70' ' ' GLU . 2.4 pp20? -131.54 54.54 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 35.1 mtm -88.46 29.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -130.13 146.59 51.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -159.12 -139.63 2.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -121.95 79.58 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -96.35 167.13 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.73 105.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.2 78.77 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 78' ' ' GLN . 3.5 tm0? -101.64 -35.82 8.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -49.05 -62.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.47 HG21 ' N ' ' A' ' 81' ' ' LEU . 5.3 p -124.26 141.27 44.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.061 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' N ' HG21 ' A' ' 80' ' ' VAL . 4.9 mt -59.38 130.27 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -145.73 145.0 30.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 87' ' ' GLY . 41.8 t -91.87 108.55 20.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 7.5 tpp -49.88 -40.42 42.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -52.54 -72.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 23.1 p -92.0 -50.89 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 100.25 57.67 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -108.63 100.76 9.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -55.87 137.86 49.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.649 ' CD1' ' CG ' ' A' ' 95' ' ' ASP . 61.0 m-85 -129.92 169.21 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -96.47 -47.15 6.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.7 p -119.28 162.5 18.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.6 tp -61.29 -38.27 86.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -39.8 -58.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.649 ' CG ' ' CD1' ' A' ' 90' ' ' PHE . 6.5 t0 -53.3 -56.52 15.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -52.38 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.7 t -42.09 -69.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 92.5 t -44.68 -55.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -46.61 -50.65 17.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.3 mtt -47.8 -46.32 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.485 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 4.7 mp -74.89 -60.0 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 22.3 mtmt -41.37 -46.92 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.549 ' HB ' ' CD2' ' A' ' 105' ' ' HIS . 78.6 p -93.06 -13.82 28.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' ' 101' ' ' ILE . 3.1 mppt? 54.85 38.25 29.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.549 ' CD2' ' HB ' ' A' ' 103' ' ' THR . 26.4 m170 -67.43 -53.71 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -47.71 -31.02 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -68.39 -39.86 81.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.96 64.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 77.4 t -120.34 -44.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 80.1 p -111.96 90.65 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.43 110.49 1.46 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.59 38.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -114.51 -34.38 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.3 t -124.51 -51.84 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.552 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -166.47 146.83 6.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.815 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 m -159.05 134.85 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.75 123.08 0.65 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 m -133.68 156.85 47.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.8 p -124.52 152.43 43.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.6 154.86 18.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.41 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 128.3 39.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.06 142.22 31.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -103.65 135.72 44.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 171.52 63.68 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.573 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -85.22 43.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.802 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.44 HG21 ' N ' ' A' ' 14' ' ' PHE . 84.4 mt -39.65 135.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.44 ' N ' HG21 ' A' ' 13' ' ' ILE . 94.0 m-85 -59.87 124.26 19.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.4 p -100.51 99.93 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.7 127.3 4.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.46 174.39 6.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.299 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 p -139.92 122.05 15.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -78.56 -48.14 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 54.5 m-85 -119.85 157.77 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -137.29 175.76 9.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 24' ' ' ASP . 8.9 t -126.09 90.39 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.6 ttpt -33.87 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' CYS . 5.4 t70 -72.21 -70.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 22' ' ' CYS . 30.2 p -101.49 152.89 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -78.35 42.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.65 120.66 42.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.57 160.52 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -136.34 147.27 47.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.83 -40.52 97.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.3 p -121.73 153.51 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 45.9 tp -64.58 -49.27 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.4 p -44.1 -45.69 2.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.447 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 6.5 mm-40 -63.31 -28.81 70.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 32' ' ' LEU . 17.3 tp -81.36 -53.01 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 p -46.01 -43.17 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.482 HG11 ' N ' ' A' ' 38' ' ' HIS . 10.2 p -58.84 -30.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.482 ' N ' HG11 ' A' ' 37' ' ' VAL . 4.8 t60 -85.31 -40.03 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 27.5 mtm -57.44 -38.54 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -82.5 -43.76 16.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -55.11 -57.86 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.7 p -80.63 -45.93 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.36 -27.87 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -45.78 163.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.421 ' C ' ' SD ' ' A' ' 39' ' ' MET . 4.3 m-85 -125.83 173.36 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.497 ' N ' ' SD ' ' A' ' 39' ' ' MET . 21.9 ttp180 -75.56 149.55 38.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 27.0 t70 -91.67 38.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -127.36 165.34 19.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -48.9 106.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.456 ' H ' ' CD2' ' A' ' 50' ' ' HIS . 4.4 p80 -105.32 174.48 5.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -109.29 178.92 4.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.7 m 51.46 36.63 17.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 p30 -121.98 175.38 6.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -67.54 154.32 41.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.86 94.93 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 2.3 p30 -90.07 143.07 29.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -52.11 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -135.04 40.63 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -133.57 63.31 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.569 ' CG ' ' O ' ' A' ' 60' ' ' TRP . 2.3 p90 -136.52 115.46 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.5 p -175.4 178.5 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.41 136.13 20.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.527 0.68 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 170.01 17.54 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -173.36 129.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.38 130.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -175.12 114.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -172.45 130.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.457 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -111.63 44.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -128.43 70.18 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -132.44 65.28 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.8 mtm -115.24 84.87 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -127.79 177.64 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 142.17 78.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.543 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -82.22 39.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -135.69 106.64 6.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 77' ' ' ALA . 1.5 t70 -82.27 39.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' GLN . . . 36.4 50.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 77' ' ' ALA . 20.4 pt20 32.6 55.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -32.26 6.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 81' ' ' LEU . 7.5 p -119.1 145.61 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 92' ' ' SER . 0.5 OUTLIER -80.27 110.12 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.421 ' C ' HD12 ' A' ' 96' ' ' LEU . 2.8 ttmp? -146.92 154.76 41.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' A' ' 87' ' ' GLY . 27.1 t -102.27 103.84 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.8 ttm -54.2 -44.18 71.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -39.25 -65.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.9 p -102.52 -49.38 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 110.83 82.89 1.33 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.544 ' O ' ' CE1' ' A' ' 90' ' ' PHE . 15.7 m-70 -141.18 109.88 6.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.0 p -75.95 138.96 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.544 ' CE1' ' O ' ' A' ' 88' ' ' HIS . 79.6 m-85 -125.16 -175.6 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -108.7 -44.42 4.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.549 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -115.68 146.66 41.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.523 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 0.3 OUTLIER -52.45 -45.93 66.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.416 ' NE2' HG23 ' A' ' 98' ' ' VAL . 14.2 tm0? -44.7 -49.63 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.26 -47.81 84.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' A' ' 90' ' ' PHE . 60.8 tp -58.46 -56.59 20.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.61 -61.11 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.416 HG23 ' NE2' ' A' ' 94' ' ' GLN . 15.0 t -39.25 -62.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.13 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.508 ' CD2' ' N ' ' A' ' 100' ' ' MET . 6.1 t60 -47.12 -65.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.508 ' N ' ' CD2' ' A' ' 99' ' ' HIS . 55.2 mtp -41.98 -32.12 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 21.4 mt -79.94 -60.11 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.11 -49.58 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 p -79.47 12.31 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.09 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.35 37.24 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -82.28 -29.84 30.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.825 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -75.7 -30.6 59.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 108' ' ' LYS . 8.8 tm0? -74.04 -70.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 107' ' ' GLN . 2.1 mptp? -36.59 -67.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.45 ' O ' ' C ' ' A' ' 110' ' ' SER . 12.0 p -44.67 144.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 109' ' ' VAL . 63.8 m -34.79 114.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -155.25 -135.54 2.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -173.74 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -140.97 -176.94 4.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.7 p -117.19 -57.47 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -172.3 123.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.945 0.402 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -152.16 175.19 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.74 147.36 41.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -123.07 125.32 44.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.817 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.2 p -171.1 175.55 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.43 103.75 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -136.96 157.28 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pp -89.67 127.59 35.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.953 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -94.37 171.92 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.33 41.07 26.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -130.91 83.5 2.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -120.33 131.04 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -97.93 123.23 41.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' GLY . 9.8 p -80.45 41.79 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' THR . . . 34.26 -112.7 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.39 145.93 4.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.321 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 m -129.62 106.52 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -110.51 -47.0 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 37.4 m-85 -111.34 137.31 49.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -129.37 138.84 51.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.0 t -79.76 140.28 36.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -63.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.476 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.9 m-20 -48.47 -69.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.7 p -96.99 178.16 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -100.68 41.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.45 109.9 22.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.01 156.35 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.529 ' CD2' ' HA ' ' A' ' 35' ' ' LEU . 67.1 m-85 -140.44 157.57 45.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.48 -47.58 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -113.06 151.9 30.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.59 -42.35 96.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -49.75 -24.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.429 ' O ' ' CG1' ' A' ' 37' ' ' VAL . 8.4 mm-40 -87.92 -34.87 17.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.529 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 25.4 tp -73.28 -56.08 5.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.6 p -45.81 -56.45 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.466 HG12 ' N ' ' A' ' 38' ' ' HIS . 7.7 p -46.83 -30.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.466 ' N ' HG12 ' A' ' 37' ' ' VAL . 46.7 t60 -82.92 -38.17 23.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.889 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.8 mtm -60.69 -29.46 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -89.5 -54.18 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -44.22 -55.47 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.7 p -89.48 -43.89 10.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.97 -27.03 4.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.476 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 36.4 m170 -43.8 165.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -138.49 162.81 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -57.35 169.55 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.83 -46.77 3.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.87 150.22 10.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 53.36 46.45 26.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -49.97 177.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -80.3 176.79 9.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.8 p -56.61 170.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 10.5 t70 -61.56 157.18 17.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 33.5 m-80 -57.06 178.88 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 56' ' ' ASN . 8.3 t30 -103.74 117.15 33.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.522 ' C ' ' H ' ' A' ' 58' ' ' LYS . 7.8 t30 -34.18 140.74 0.26 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.534 ' O ' ' C ' ' A' ' 58' ' ' LYS . 54.0 Cg_endo -69.78 20.49 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.737 2.291 . . . . 0.0 112.293 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 57' ' ' PRO . 72.9 mttt -25.05 100.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -112.2 19.47 17.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -76.6 84.64 3.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -167.22 180.0 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 151.39 84.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -171.72 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.602 2.201 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -73.62 175.6 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -49.02 174.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -50.93 171.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -141.4 166.58 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -115.89 39.22 3.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.1 mp -147.06 117.74 7.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -148.91 117.44 6.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 mmt -132.28 104.68 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -132.26 162.34 31.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.43 82.06 0.51 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -96.01 41.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -129.98 89.5 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -93.87 39.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.04 42.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.12 -50.58 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -56.98 -49.73 74.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.486 HG23 ' N ' ' A' ' 81' ' ' LEU . 12.3 p -142.79 154.41 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.486 ' N ' HG23 ' A' ' 80' ' ' VAL . 7.5 mt -71.66 96.36 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.435 ' C ' HD22 ' A' ' 96' ' ' LEU . 27.2 ttpp -133.7 158.9 42.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 87' ' ' GLY . 51.6 t -97.32 112.22 24.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 7.2 tpp -51.6 -39.63 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.448 ' CD1' ' CE1' ' A' ' 105' ' ' HIS . 3.1 t80 -50.75 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.996 0.427 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' A' ' 88' ' ' HIS . 2.7 p -83.83 -57.77 3.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 108.46 60.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.438 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.499 ' O ' ' CD2' ' A' ' 88' ' ' HIS . 0.4 OUTLIER -131.15 97.11 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 93.9 p -70.23 126.92 31.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -104.47 162.82 12.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -98.51 21.23 11.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -156.22 132.84 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.78 -32.93 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.503 ' O ' ' CG2' ' A' ' 98' ' ' VAL . 16.7 tp60 -66.8 -42.28 86.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -59.92 -38.64 82.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.435 HD22 ' C ' ' A' ' 82' ' ' LYS . 0.2 OUTLIER -77.17 -68.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 m -43.7 -38.48 3.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 94' ' ' GLN . 11.4 t -61.92 -67.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.419 ' N ' HG11 ' A' ' 98' ' ' VAL . 13.2 t60 -44.72 -53.16 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.42 ' HG2' ' CD1' ' A' ' 96' ' ' LEU . 4.3 mmt -39.78 -42.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.7 mt -86.59 -61.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.1 mtpt -40.52 -33.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.3 p -107.8 -19.1 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.44 40.49 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.448 ' CE1' ' CD1' ' A' ' 85' ' ' TYR . 4.0 m170 -72.5 -52.1 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -58.05 -18.2 22.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -93.36 -46.34 7.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 109' ' ' VAL . 30.3 mmtt -67.17 -50.69 60.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 110' ' ' SER . 8.1 p -35.8 143.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 109' ' ' VAL . 1.2 t -34.4 137.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -168.83 -168.44 30.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.262 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 t -169.63 142.74 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.2 p -174.89 174.91 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -154.13 151.12 28.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -173.36 172.17 3.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.95 135.0 1.81 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -150.95 151.37 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -118.66 -57.87 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.49 152.03 1.53 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -141.11 169.11 18.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 tp -116.65 129.94 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -80.27 163.25 24.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.53 113.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.545 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -105.4 83.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.6 pt -101.67 132.61 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -104.48 41.75 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.2 t -122.93 -2.15 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.061 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.72 -120.2 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.01 174.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 88.0 p -155.25 122.06 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -73.73 -64.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.558 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 61.5 m-85 -92.4 166.3 12.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -152.53 154.97 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -100.67 135.76 41.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' CB ' ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -72.49 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.523 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 2.6 m-20 -44.79 -69.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.7 p -94.29 -177.65 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -109.32 43.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.27 111.67 24.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.97 160.67 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -141.96 155.41 45.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.81 -47.87 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 p -113.58 155.46 25.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.558 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 10.8 tp -63.0 -48.11 80.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -43.16 -37.27 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.81 -37.53 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.9 tp -73.72 -54.88 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.1 p -42.15 -67.3 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -37.51 -43.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -70.26 -47.2 62.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 31.7 mtm -50.26 -41.09 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -82.76 -43.45 16.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -50.64 -44.69 57.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.9 p -98.87 -47.65 5.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.05 -36.58 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.523 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 12.0 m170 -38.4 156.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -132.19 170.35 15.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.973 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.403 ' N ' ' SD ' ' A' ' 39' ' ' MET . 31.1 tpt85 -57.44 147.68 25.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' HB2' ' CB ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -85.65 -52.04 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -46.55 124.54 6.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.7 p30 -65.32 -40.12 93.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -48.24 -32.87 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -100.98 117.52 35.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.4 p -142.09 143.06 32.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -96.63 -26.85 15.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -62.31 141.84 58.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -75.91 -30.96 58.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.48 ' OD1' ' C ' ' A' ' 56' ' ' ASN . 5.0 t-20 -104.37 96.57 10.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.656 0.741 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -30.21 22.43 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 14.2 pttp -68.61 108.44 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 60' ' ' TRP . 12.1 ttm180 -49.69 176.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.403 ' O ' ' O ' ' A' ' 59' ' ' ARG . 67.4 m95 -48.49 178.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.6 p -69.55 152.68 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.35 162.83 0.22 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 176.06 7.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.321 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -102.46 21.83 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' ARG . 16.8 mmtp -97.07 176.91 5.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' LYS . 24.1 mtp180 -33.81 134.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -175.5 -175.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 mp 42.2 27.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.442 ' N ' HD23 ' A' ' 69' ' ' LEU . 4.1 mm? -51.1 -179.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -93.95 110.57 22.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.2 mmt -131.83 177.36 7.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -92.23 105.52 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.64 -140.97 3.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.551 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.2 105.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -104.24 47.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -131.2 37.52 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.2 42.22 2.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -131.84 43.53 3.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -127.99 -62.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.45 143.93 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 mt -40.97 103.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -132.08 154.34 49.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.441 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 20.2 t -90.46 154.64 19.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.4 mtp -99.48 -33.87 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -62.09 -59.39 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 29.4 p -102.29 -50.1 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 102.84 68.72 0.8 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 6.1 t60 -115.19 136.97 52.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.8 p -88.99 120.16 30.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.582 ' CD1' HD21 ' A' ' 96' ' ' LEU . 15.9 m-85 -111.75 177.22 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 92' ' ' SER . 11.6 pt-20 -110.69 -48.27 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.413 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -109.27 149.25 29.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 2.1 tt -52.84 -45.86 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.403 ' NE2' HG13 ' A' ' 98' ' ' VAL . 0.4 OUTLIER -44.64 -61.28 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -44.75 -27.98 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.582 HD21 ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -80.82 -61.52 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 t -52.8 -31.97 41.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.403 HG13 ' NE2' ' A' ' 94' ' ' GLN . 7.1 p -82.06 -39.32 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -57.17 -58.37 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.8 mmt -50.26 -63.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 83.8 mt -48.02 -39.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -62.77 -47.68 82.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 104' ' ' LYS . 66.0 p -101.45 24.06 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 103' ' ' THR . 15.0 ttpt 33.11 50.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -84.9 -37.56 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.437 ' CG ' ' N ' ' A' ' 107' ' ' GLN . 6.6 p90 -70.04 -41.56 74.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 3.5 tt0 -71.96 -36.27 69.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -81.31 40.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 106' ' ' TYR . 35.1 m -106.82 -38.01 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 t -95.63 175.82 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.44 140.08 8.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 -171.83 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.382 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.6 m -140.87 174.09 10.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.8 t -96.48 178.38 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 m -141.13 153.42 45.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -173.45 141.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.58 -150.13 6.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.559 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -157.71 153.74 27.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.865 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -151.9 152.02 32.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.25 162.81 36.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -122.86 134.64 54.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.446 ' H ' ' CD2' ' A' ' 9' ' ' LEU . 0.3 OUTLIER -64.59 163.76 13.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -105.26 174.38 5.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.58 103.45 0.3 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.428 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 m -65.62 82.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.6 pp -54.04 145.81 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.073 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -127.02 172.87 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.9 m -150.15 110.71 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.19 160.09 49.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.474 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.13 148.11 51.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -156.7 126.31 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -42.84 -55.74 3.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 58.1 m-85 -108.43 165.86 11.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -150.38 150.51 31.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.39 138.59 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -77.18 -65.15 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -40.35 -67.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.3 p -103.59 -177.8 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -103.57 40.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.55 107.48 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.27 166.73 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -141.19 159.05 43.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.31 -43.12 21.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.3 p -113.03 145.41 40.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 65.4 tp -61.57 -53.14 60.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.3 m -40.76 -39.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -72.62 -42.19 64.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.28 -57.0 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 p -38.22 -58.88 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 55.3 t -43.5 -50.67 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.425 ' HA ' ' CD ' ' A' ' 41' ' ' GLU . 26.8 t60 -64.05 -34.92 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.4 mtm -63.21 -37.98 89.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -88.78 -56.12 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.469 ' CG ' HG21 ' A' ' 42' ' ' THR . 6.8 pt-20 -39.84 -39.94 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.469 HG21 ' CG ' ' A' ' 41' ' ' GLU . 33.3 p -102.83 -36.49 8.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.23 -21.87 9.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.409 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 43.1 m170 -47.25 164.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -137.6 156.96 47.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.448 ' CZ ' ' NE2' ' A' ' 50' ' ' HIS . 9.2 ttt180 -53.9 173.3 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.75 -39.16 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -42.81 165.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -50.85 -71.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.448 ' NE2' ' CZ ' ' A' ' 46' ' ' ARG . 2.0 m-70 63.37 51.37 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -104.48 163.59 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 53' ' ' ASP . 18.7 m -74.67 143.05 44.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.409 ' N ' HG23 ' A' ' 52' ' ' THR . 5.7 m-20 -81.19 111.52 17.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -140.41 174.33 10.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' ASN . 14.4 p30 -145.48 166.09 26.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' ASN . 7.1 p30 -34.56 99.09 0.16 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -17.56 37.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 59' ' ' ARG . 23.4 mtpp -108.65 47.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' LYS . 31.6 ttp180 34.51 36.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.416 ' N ' ' O ' ' A' ' 58' ' ' LYS . 15.4 t-105 -99.95 97.63 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.0 m -141.56 140.66 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -67.08 144.15 98.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.532 0.682 . . . . 0.0 110.949 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 177.49 5.49 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.429 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -163.45 128.4 2.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -78.4 133.73 37.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -175.01 155.93 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.6 m -153.95 173.98 15.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mp -127.34 -61.66 1.13 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp 48.4 54.04 11.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -101.9 113.67 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -100.82 144.36 29.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -123.07 177.95 5.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -121.29 -144.09 6.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 73' ' ' GLY . 11.1 ptmt 30.28 46.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 74' ' ' LYS . 8.0 tt0 -34.2 146.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -47.17 106.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.28 77.81 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -132.76 44.24 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -79.38 -37.8 36.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 81' ' ' LEU . 6.6 p -153.7 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 80' ' ' VAL . 15.4 mt -33.54 112.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.489 ' HD3' ' CA ' ' A' ' 89' ' ' SER . 3.5 tppp? -143.87 146.35 32.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' GLY . 41.9 t -91.67 107.3 19.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 15.2 ttm -51.86 -46.21 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -40.66 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.3 p -91.86 -51.87 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 115.92 54.24 0.36 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.498 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.574 ' HB3' ' CE2' ' A' ' 90' ' ' PHE . 13.0 m-70 -108.4 119.07 38.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.489 ' CA ' ' HD3' ' A' ' 82' ' ' LYS . 69.7 p -91.53 107.64 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.611 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 68.5 m-85 -104.22 133.24 49.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.02 -42.58 97.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.7 m -98.06 140.51 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 39.7 tp -56.41 -45.96 80.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.459 ' O ' ' CG1' ' A' ' 98' ' ' VAL . 70.4 tp60 -48.53 -44.21 36.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.611 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.8 m-20 -59.83 -49.45 77.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.535 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -59.11 -49.52 77.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 100' ' ' MET . 21.0 t -67.1 -69.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 94' ' ' GLN . 7.2 p -37.52 -30.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.453 ' N ' HG12 ' A' ' 98' ' ' VAL . 2.2 t60 -66.33 -46.19 77.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' SER . 6.0 mtt -67.41 -22.45 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 12.0 mm -77.06 -30.95 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -89.4 -56.29 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.6 p -70.37 -14.36 62.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 55.85 54.23 8.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -91.11 -45.32 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.43 ' CE1' ' HG2' ' A' ' 107' ' ' GLN . 0.4 OUTLIER -65.57 -20.46 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.43 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 8.0 mm-40 -91.37 -41.48 10.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.71 -59.27 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 7.7 p -44.78 -36.38 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.5 p -97.32 179.49 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -149.58 115.18 0.7 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -170.95 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.742 2.295 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 t -159.36 172.71 17.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -158.86 166.07 32.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -167.98 155.81 8.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.886 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -156.47 175.32 14.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.8 -159.0 15.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -156.12 140.39 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -82.84 164.94 20.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.98 154.69 20.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -119.55 140.27 50.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.413 HD11 ' N ' ' A' ' 9' ' ' LEU . 10.9 mp -73.42 170.75 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.9 p90 -99.05 128.57 45.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.9 -163.76 20.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.443 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 p -171.81 124.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.839 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 pt -99.21 143.75 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -108.83 155.59 20.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.4 p -133.44 119.31 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.67 125.89 2.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.06 140.11 56.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.735 0.302 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.2 p -122.54 118.46 28.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.66 -53.23 60.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.547 ' CE2' HD13 ' A' ' 32' ' ' LEU . 87.5 m-85 -107.64 149.23 28.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -141.23 117.31 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 24.8 t -63.37 125.42 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -86.34 25.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 -56.61 1.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.6 p -106.03 177.49 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.2 t -91.5 41.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.53 149.71 42.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.08 139.84 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -116.95 168.46 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -95.47 -43.55 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.793 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.0 p -101.13 156.57 17.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD13 ' CE2' ' A' ' 20' ' ' PHE . 39.5 tp -74.98 -41.38 59.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 34' ' ' GLU . 2.8 p -53.43 -41.78 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.422 ' N ' HG11 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -69.55 -34.21 73.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 20.7 tp -70.64 -61.97 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' VAL . 45.3 p -38.81 -68.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 38' ' ' HIS . 7.4 p -35.54 -40.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.438 ' N ' HG12 ' A' ' 37' ' ' VAL . 6.4 t60 -74.47 -48.07 29.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 41.4 mtm -56.65 -45.49 81.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -68.35 -51.46 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -54.77 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.6 p -71.46 -32.81 68.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.173 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 98.42 27.57 8.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 62.4 m170 -91.87 -178.94 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.334 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -146.15 139.19 25.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' N ' ' SD ' ' A' ' 39' ' ' MET . 4.3 ptp180 -70.84 162.5 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -42.38 13.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -40.94 114.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.518 ' ND2' ' H ' ' A' ' 50' ' ' HIS . 1.3 p-10 -65.17 -75.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.518 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 18.5 m-70 52.93 38.58 27.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -104.82 167.74 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.1 p -83.43 170.79 14.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -66.68 172.22 4.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -120.05 23.18 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -126.24 -176.29 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.463 ' C ' ' H ' ' A' ' 58' ' ' LYS . 27.1 m120 -33.4 146.64 0.1 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.699 0.761 . . . . 0.0 110.807 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 13.12 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.463 ' H ' ' C ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER 45.34 48.09 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' LYS . 7.7 ttm-85 -33.55 147.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.423 ' CH2' ' HA ' ' A' ' 63' ' ' PRO . 42.2 p-90 -68.31 173.88 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -43.35 167.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -55.81 154.28 14.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.499 ' O ' ' C ' ' A' ' 64' ' ' ARG . 53.1 Cg_endo -69.9 -171.71 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.264 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.499 ' C ' ' O ' ' A' ' 63' ' ' PRO . 40.8 mtt85 -29.61 140.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 165.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -102.43 -174.43 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 66' ' ' ARG . 71.6 p -33.7 130.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -83.11 21.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -36.58 -36.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -106.59 55.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.1 mtm -43.36 111.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.66 140.19 53.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -142.39 -128.1 2.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.56 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -99.32 100.09 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -45.7 171.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 78' ' ' GLN . 1.5 p30 -81.03 15.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.63 87.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' ASP . 5.2 pt20 -123.55 50.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 12.4 pttp -90.0 -36.26 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.484 HG23 ' N ' ' A' ' 81' ' ' LEU . 7.4 p -121.42 143.0 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.484 ' N ' HG23 ' A' ' 80' ' ' VAL . 79.9 mt -69.61 104.6 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 150.15 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 87' ' ' GLY . 34.7 t -100.92 103.34 14.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -54.64 -48.33 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.632 ' CE1' ' CD2' ' A' ' 105' ' ' HIS . 4.0 t80 -34.26 -67.93 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.413 ' HB3' ' CE1' ' A' ' 105' ' ' HIS . 28.0 p -101.37 -49.28 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 111.88 73.29 0.67 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.446 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -131.49 150.14 52.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.1 p -100.88 155.46 17.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.581 ' CD1' HD22 ' A' ' 96' ' ' LEU . 63.8 m-85 -150.16 172.22 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -96.62 -57.98 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -110.92 171.59 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' LEU . 16.8 mt -65.96 -53.06 43.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 93' ' ' LEU . 40.4 tp60 -36.94 -51.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.89 -41.48 78.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.581 HD22 ' CD1' ' A' ' 90' ' ' PHE . 2.7 tm? -68.13 -54.56 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.5 m -51.94 -52.3 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 80.9 t -53.45 -58.95 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.107 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -46.74 -52.01 14.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 104' ' ' LYS . 5.2 mmm -56.78 -71.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.0 mt -44.05 -37.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -70.31 -35.24 73.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 78.6 p -105.53 15.99 26.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' MET . 87.1 mttt 42.25 42.77 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.632 ' CD2' ' CE1' ' A' ' 85' ' ' TYR . 22.0 m170 -85.92 -30.49 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 107' ' ' GLN . 0.2 OUTLIER -82.99 -25.13 32.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.526 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 2.3 tt0 -64.35 -44.8 90.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.446 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 11.5 mtpt -47.65 -38.98 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.7 t -76.35 147.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.7 t -83.59 151.17 25.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 109.86 109.18 3.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 113' ' ' SER . 53.5 Cg_endo -69.79 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.739 2.293 . . . . 0.0 112.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 112' ' ' PRO . 88.3 p 32.98 45.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 115' ' ' GLY . 3.2 p -134.11 -56.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 114' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.548 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -170.28 144.65 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.2 p -169.32 152.31 4.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.6 110.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -156.99 156.5 33.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -133.54 173.44 11.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.47 150.23 21.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 136.18 49.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.19 144.9 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -92.42 133.25 36.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.28 108.14 3.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 m -96.18 91.86 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.883 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.2 mp -51.87 137.36 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.169 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -109.0 142.34 39.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.3 m -136.18 126.64 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -166.83 109.49 0.35 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -124.64 171.64 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -167.76 117.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -55.47 -56.26 22.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -109.73 155.22 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -141.29 132.43 26.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.8 t -85.64 74.99 10.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 24' ' ' ASP . 10.9 tptm -31.98 -62.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 23' ' ' LYS . 2.7 m-20 -30.09 -60.71 0.17 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' CYS . 29.1 p -106.17 -173.69 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 m -100.48 39.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.2 158.7 24.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.1 159.87 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.419 ' CD2' ' HA ' ' A' ' 35' ' ' LEU . 98.7 m-85 -138.96 166.92 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.21 -39.18 18.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.6 p -114.31 151.88 32.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 37.4 tp -64.95 -50.02 68.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.2 m -49.73 -29.99 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -81.75 -22.97 36.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.419 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 28.6 tp -86.84 -57.24 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 39' ' ' MET . 1.3 t -44.12 -59.29 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 38' ' ' HIS . 11.8 p -39.2 -28.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' THR . 10.3 t60 -91.55 -37.9 12.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' THR . 51.7 mtm -68.89 -51.44 40.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -60.82 -38.51 85.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.94 -68.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.7 p -63.54 -48.04 79.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.192 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.57 -23.81 2.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -51.0 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -159.96 178.36 9.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -47.85 159.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.07 28.96 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.13 171.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -48.36 -58.3 4.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -60.42 98.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.49 -75.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.2 t -128.18 -9.39 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASN . 1.1 p-10 -48.53 -26.03 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' ASP . 19.9 t-20 -37.55 -55.69 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -115.38 110.86 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -132.28 87.24 43.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.74 -25.38 28.73 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.391 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -116.71 101.43 8.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.8 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.17 154.38 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -69.19 82.85 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -108.35 32.23 4.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.14 151.42 71.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.527 0.68 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 -179.8 3.12 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -141.71 139.8 33.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -44.29 144.16 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptp85 -125.57 159.39 32.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.3 p -73.04 174.12 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -126.99 74.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.8 mp 36.89 53.29 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -50.38 101.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.1 mmt -74.05 170.14 16.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -108.78 177.27 4.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.78 131.04 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -79.71 43.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.731 0.3 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -95.23 30.55 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.18 38.94 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.91 48.86 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -93.04 -60.37 1.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -120.78 11.37 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.47 HG11 ' N ' ' A' ' 81' ' ' LEU . 2.5 t -107.07 151.63 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.47 ' N ' HG11 ' A' ' 80' ' ' VAL . 9.1 mt -94.48 50.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.433 ' HG3' ' C ' ' A' ' 88' ' ' HIS . 18.8 ttpt -84.82 167.58 15.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 44.8 t -111.66 127.04 55.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.4 ttp -66.27 -28.73 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.442 ' CB ' ' HB3' ' A' ' 105' ' ' HIS . 22.0 t80 -63.7 -72.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.622 ' SG ' ' CE1' ' A' ' 88' ' ' HIS . 3.1 p -82.7 -59.48 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.45 68.25 0.57 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.451 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.622 ' CE1' ' SG ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -135.39 107.02 6.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.0 p -63.36 123.79 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.471 ' CE2' ' CD2' ' A' ' 88' ' ' HIS . 35.5 m-85 -108.2 -173.68 2.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -132.1 -31.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.2 m -103.41 123.96 47.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 12.3 tp -51.01 -33.95 27.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.493 ' O ' ' CG2' ' A' ' 98' ' ' VAL . 9.7 tp60 -62.66 -44.91 95.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.13 -33.97 67.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.427 ' C ' HD11 ' A' ' 96' ' ' LEU . 3.0 tm? -86.29 -65.13 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 28.5 t -43.91 -28.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' A' ' 94' ' ' GLN . 97.1 t -85.62 -64.87 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.411 ' CE1' ' HE1' ' A' ' 88' ' ' HIS . 7.1 t60 -37.09 -52.14 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 104' ' ' LYS . 30.5 mmm -43.56 -54.19 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 2.4 mp -71.74 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -38.38 -42.38 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.1 p -99.09 -18.61 17.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.3 OUTLIER 63.83 38.28 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.442 ' HB3' ' CB ' ' A' ' 85' ' ' TYR . 11.6 m170 -65.79 -47.86 73.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 107' ' ' GLN . 10.1 p90 -60.12 -44.79 94.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 3.0 tt0 -33.76 -37.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 106' ' ' TYR . 28.0 mttp -81.54 40.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.418 HG22 ' C ' ' A' ' 108' ' ' LYS . 86.0 t -143.03 133.2 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 46.8 t -63.5 112.44 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 157.0 166.35 16.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -172.51 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.4 t -151.69 175.91 11.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.8 p -168.51 177.71 5.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.476 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.412 0 N-CA-C 112.581 -0.207 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -122.43 88.22 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.816 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -121.31 -50.1 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.99 -172.03 55.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -166.16 177.31 7.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.834 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -93.39 136.36 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.0 129.7 9.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -114.47 121.3 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.4 tp -115.47 146.66 41.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -113.51 141.4 47.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.1 170.76 23.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.438 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -161.44 111.97 1.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 0.0 110.789 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 pt -94.15 142.2 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -89.16 135.69 33.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 88.5 m -132.64 115.43 15.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.82 97.6 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.65 137.98 53.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.07 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 p -131.85 106.22 7.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -71.43 -50.61 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.51 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 30.0 m-85 -102.9 167.72 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -148.41 151.24 34.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -102.65 130.64 49.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -65.03 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.439 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . 13.5 t0 -43.52 -69.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.8 164.56 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 t -95.04 40.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.61 121.01 44.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.27 163.73 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -138.59 159.39 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -82.75 -45.25 14.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -109.02 150.36 27.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 34.9 tp -66.92 -50.81 61.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.8 m -46.95 -28.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.92 -35.55 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 tp -75.94 -49.93 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' MET . 33.3 p -46.4 -65.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 13.1 p -41.17 -31.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -83.27 -36.7 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 34.1 mtm -62.8 -44.79 95.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -74.3 -39.51 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -56.84 -61.41 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.9 p -81.52 -38.8 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.76 23.64 5.55 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.543 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 41.4 m170 -88.41 -174.28 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 21.9 m-85 -143.92 157.09 44.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.491 ' N ' ' SD ' ' A' ' 39' ' ' MET . 32.9 ptt-85 -82.31 36.85 0.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 22.2 t70 40.95 34.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -56.53 154.65 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -75.77 -59.34 2.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -46.0 113.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.76 141.92 47.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.3 p -101.44 -2.23 31.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.44 92.11 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -162.96 172.15 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -70.98 -49.93 39.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 14.6 t30 56.99 55.01 7.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.743 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 56' ' ' ASN . 54.4 Cg_endo -69.69 -0.45 6.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 49.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -133.89 150.62 51.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -59.42 105.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 m -136.4 166.08 24.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.04 154.89 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.69 4.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 65' ' ' LYS . 9.7 ttp180 -56.24 161.43 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 64' ' ' ARG . 6.6 mmpt? -34.02 105.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -62.1 176.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -50.35 174.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -84.8 -71.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -120.51 118.59 30.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.419 ' C ' ' HG2' ' A' ' 71' ' ' MET . 13.9 pt-20 -140.29 108.36 5.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.419 ' HG2' ' C ' ' A' ' 70' ' ' GLU . 11.0 mmt -148.65 110.19 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.58 87.78 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.19 118.96 0.62 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -87.19 40.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.731 0.301 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -130.96 107.43 9.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -87.37 43.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 53.17 39.35 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -131.62 94.14 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -86.3 44.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -88.26 173.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.6 mt -75.05 55.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.959 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -92.37 159.55 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.418 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 11.8 t -93.63 143.83 25.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.7 ttp -83.48 -34.41 25.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.639 ' CD2' ' CE1' ' A' ' 105' ' ' HIS . 35.2 t80 -68.88 -75.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.96 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.509 ' N ' ' CD2' ' A' ' 85' ' ' TYR . 29.8 p -90.65 -47.71 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 98.97 91.42 2.01 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.41 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 6.6 t-160 -131.08 104.98 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.1 p -62.44 142.1 58.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.5 ' CD1' ' CG ' ' A' ' 95' ' ' ASP . 78.4 m-85 -136.04 -178.76 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.37 -45.86 3.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.7 p -113.29 143.82 43.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.424 ' O ' ' C ' ' A' ' 94' ' ' GLN . 13.7 tp -50.37 -44.28 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' LEU . 48.2 tp60 -36.16 -55.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.5 ' CG ' ' CD1' ' A' ' 90' ' ' PHE . 4.7 t0 -50.42 -62.51 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 100' ' ' MET . 1.1 tm? -47.16 -60.04 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.8 t -48.42 -31.25 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.443 ' O ' ' C ' ' A' ' 99' ' ' HIS . 6.8 t -82.89 -68.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.443 ' C ' ' O ' ' A' ' 98' ' ' VAL . 9.6 t60 -33.75 -45.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.475 ' CG ' HD12 ' A' ' 96' ' ' LEU . 16.5 mmm -54.6 -64.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 76.1 mt -54.96 -45.22 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -51.03 -53.86 29.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 104' ' ' LYS . 37.9 p -98.08 21.41 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 104' ' ' LYS . 6.6 pttt 33.04 45.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.639 ' CE1' ' CD2' ' A' ' 85' ' ' TYR . 35.6 m170 -78.6 -25.91 45.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.423 ' CG ' ' N ' ' A' ' 107' ' ' GLN . 2.3 p90 -64.35 -42.67 96.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.46 ' HG3' ' N ' ' A' ' 108' ' ' LYS . 3.9 pt20 -67.12 -40.11 86.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 107' ' ' GLN . 1.7 mmmp? -39.99 -56.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.445 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 4.2 m -76.74 121.6 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.1 t -146.57 -176.9 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -144.75 147.34 18.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 123.4 10.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.747 2.298 . . . . 0.0 112.359 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' SER . 88.7 p -86.34 -48.58 8.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.825 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 113' ' ' SER . 54.0 p -36.31 149.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -137.98 152.43 48.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.816 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -170.48 166.75 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.87 -151.86 9.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -157.72 122.77 4.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -159.39 125.23 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.72 -64.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -122.21 92.27 3.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.311 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.1 32.28 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -101.43 136.42 41.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.24 55.94 0.15 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.6 m -126.5 95.56 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.0 mt -44.92 141.63 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.159 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -52.1 177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.3 p -119.46 112.81 19.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.114 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -154.97 174.49 33.2 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.424 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.36 147.48 32.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.5 m -59.2 95.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -47.43 -50.99 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.549 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 25.4 m-85 -111.04 164.91 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -156.14 134.34 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 23' ' ' LYS . 13.9 t -93.58 78.82 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 22' ' ' CYS . 9.1 tttt -33.93 -54.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.2 m-20 -34.2 -61.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.55 -177.77 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -96.02 39.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.66 148.95 43.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.61 170.26 16.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -147.81 168.76 21.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.898 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.86 -39.91 8.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.7 p -104.05 147.8 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 48.3 tp -67.88 -46.43 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.473 HG13 ' N ' ' A' ' 34' ' ' GLU . 4.4 p -49.32 -38.85 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.473 ' N ' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -70.36 -47.21 61.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.15 -55.64 31.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -40.78 -61.43 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 70.2 t -39.2 -51.21 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -64.81 -49.81 69.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' GLY . 17.3 mtm -47.3 -45.66 24.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -80.22 -59.91 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -38.15 -41.41 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.3 p -100.01 -40.76 7.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 39' ' ' MET . . . 127.37 -32.52 3.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.593 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -43.97 167.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -134.59 172.8 12.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -56.34 177.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.32 -27.08 3.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.79 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.44 9.41 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -112.24 151.05 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -85.88 91.48 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.798 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -103.34 106.57 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.1 m 38.0 33.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.19 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.93 135.42 57.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -105.49 -51.25 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -117.41 126.04 51.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -106.94 111.48 63.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.68 5.59 1.61 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm 41.05 47.97 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -134.5 47.06 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.467 ' CG ' ' N ' ' A' ' 61' ' ' SER . 3.7 p90 -115.13 -43.36 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 1.9 m -84.69 -176.11 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -83.46 152.89 64.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -174.96 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -39.5 148.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -130.62 157.13 43.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' SER . 2.8 ttm180 -108.02 141.08 40.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' ARG . 15.7 m -88.45 -174.01 4.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 48.37 26.94 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -101.91 39.42 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 71' ' ' MET . 7.8 pt-20 -114.99 40.29 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -34.65 146.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -106.72 61.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -106.7 -128.67 6.07 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 75' ' ' GLU . 36.7 mmtm -112.66 42.26 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' LYS . 4.0 tm-20 35.52 41.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -146.72 134.86 21.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.3 -7.76 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -42.62 145.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.45 36.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.489 HG22 ' N ' ' A' ' 81' ' ' LEU . 3.5 p -167.56 142.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.489 ' N ' HG22 ' A' ' 80' ' ' VAL . 11.2 mt -65.3 107.92 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -125.67 149.48 48.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 15.1 t -74.93 151.77 38.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.7 mtt -92.2 -35.13 14.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -68.12 -70.0 0.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 87' ' ' GLY . 28.7 p -93.78 -47.91 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 86' ' ' CYS . . . 97.94 87.05 1.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 5.2 t60 -126.28 119.09 26.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.7 p -68.56 118.4 11.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 88' ' ' HIS . 96.7 m-85 -112.52 172.94 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -103.25 -48.46 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.2 m -112.55 165.62 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -63.89 -54.08 40.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -39.69 -42.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -59.84 -48.06 83.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.501 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 1.1 tm? -62.85 -56.28 18.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.4 p -51.23 -61.85 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 99' ' ' HIS . 31.7 t -46.61 -69.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.468 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.0 t60 -32.82 -47.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.0 mmm -64.81 -71.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.8 mt -42.99 -32.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -77.38 -46.49 22.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 104' ' ' LYS . 61.3 p -94.76 16.85 14.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 100' ' ' MET . 39.2 mtpt 34.04 49.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -84.85 -34.94 22.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.75 6.49 12.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -95.31 -33.75 12.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.67 42.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.4 m -108.27 106.33 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.4 p -174.23 177.31 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -114.44 120.93 5.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -179.02 2.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.0 t -174.49 130.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 t -151.11 177.56 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -172.28 170.65 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -168.92 168.88 10.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.811 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.07 98.91 1.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -153.24 120.13 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.947 0.403 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -154.35 132.13 11.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.19 95.1 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -123.9 121.5 35.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.403 HD11 ' C ' ' A' ' 9' ' ' LEU . 1.8 pp -77.9 126.81 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -101.22 131.95 46.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.49 119.22 2.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.9 p -171.17 115.82 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.874 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 pt -97.97 140.38 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.056 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -96.4 163.91 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.3 m -64.64 -6.56 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.52 12.72 6.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.89 139.53 47.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.5 m -151.49 119.11 6.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -84.12 -54.07 5.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.3 m-85 -108.23 131.19 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.47 ' CZ ' ' OD2' ' A' ' 47' ' ' ASP . 45.1 mtm105 -125.06 124.13 41.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 23' ' ' LYS . 36.4 t -75.96 80.75 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 22' ' ' CYS . 13.6 tptm -33.49 -53.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' LYS . 8.5 t0 -35.32 -68.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' CYS . 27.5 p -102.2 -176.56 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -94.19 36.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -115.91 163.86 15.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.27 158.51 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -134.11 154.94 50.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -46.33 36.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.6 p -108.34 147.81 30.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -67.41 -44.29 79.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -48.79 -25.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -89.94 -40.29 12.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.3 tp -63.74 -46.84 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 45.8 p -44.2 -62.38 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 71.0 t -36.27 -54.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -62.18 -49.37 76.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.484 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 29.4 mtm -51.06 -52.94 38.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.94 -51.82 43.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -51.1 -63.83 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.2 p -73.64 -28.56 61.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 95.43 27.87 10.26 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' MET . 17.0 m170 -94.07 -176.63 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.409 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 23.6 m-85 -144.79 147.4 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' N ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -58.01 -178.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.47 ' OD2' ' CZ ' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -123.69 31.01 6.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.23 175.02 5.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -49.96 168.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -159.51 144.11 15.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -110.04 43.27 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.1 p -128.48 114.0 16.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -173.34 143.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 61.75 25.18 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -71.75 -44.57 63.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 34.7 p-10 -96.2 108.52 42.02 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 110.853 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.521 ' O ' ' C ' ' A' ' 58' ' ' LYS . 53.0 Cg_endo -69.81 0.54 5.53 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.735 2.29 . . . . 0.0 112.261 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER 28.05 41.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 57' ' ' PRO . 6.9 ptt-85 -39.69 148.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -92.58 179.45 5.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.2 m -113.51 179.14 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.802 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.01 151.68 0.16 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -169.8 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.244 . . . . 0.0 112.396 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -83.4 150.26 26.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -71.38 -175.49 1.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -104.34 175.19 5.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.463 ' O ' ' CD ' ' A' ' 66' ' ' ARG . 74.7 m -87.89 158.48 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.61 79.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.7 mp -43.37 150.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -98.91 128.86 45.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.77 174.88 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.3 169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -127.62 -105.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 75' ' ' GLU . 3.6 ptpt -81.66 43.42 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.763 0.316 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 74' ' ' LYS . 16.4 tt0 -35.88 151.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.56 45.08 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.64 79.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.452 ' NE2' ' HD2' ' A' ' 82' ' ' LYS . 36.4 mt-30 -133.22 95.04 3.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.98 47.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 81' ' ' LEU . 6.5 p -168.92 139.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' N ' HG23 ' A' ' 80' ' ' VAL . 8.5 mt -53.66 106.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.452 ' HD2' ' NE2' ' A' ' 78' ' ' GLN . 7.3 ttmt -137.82 149.41 46.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 87' ' ' GLY . 42.5 t -100.64 110.05 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -45.75 86.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -37.88 -59.3 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.5 p -106.39 -52.21 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 110.2 50.14 0.68 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -107.89 121.26 44.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.436 ' HB3' ' CE ' ' A' ' 82' ' ' LYS . 88.8 p -78.42 147.88 33.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.567 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 92.8 m-85 -139.18 -175.06 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -114.49 -52.95 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.4 p -113.62 159.49 19.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -51.69 -52.49 47.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 93' ' ' LEU . 39.1 tp60 -36.38 -62.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.567 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 4.2 m-20 -45.06 -46.59 11.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.553 HD22 ' CD2' ' A' ' 90' ' ' PHE . 2.7 tm? -64.6 -55.15 22.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 99' ' ' HIS . 40.9 m -55.92 -65.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.469 HG13 ' N ' ' A' ' 99' ' ' HIS . 11.0 p -42.39 -24.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.469 ' N ' HG13 ' A' ' 98' ' ' VAL . 3.6 t60 -84.29 -54.19 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 mmt -51.81 -40.07 59.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.425 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 19.7 mt -68.93 -57.0 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -55.59 -57.25 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.5 p -71.94 -21.89 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER 61.69 52.94 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' LYS . 40.3 m170 -92.45 -47.42 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 107' ' ' GLN . 31.8 p90 -40.99 -53.96 2.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.528 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 0.8 OUTLIER -54.38 -58.01 9.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 105' ' ' HIS . 39.6 ttmt -80.0 112.56 17.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.6 t -130.36 -52.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.0 p -120.44 178.55 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -151.43 108.67 0.39 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.64 -175.85 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.776 2.318 . . . . 0.0 112.336 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.1 p -159.31 151.04 20.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.0 t -127.25 178.08 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.432 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.2 t -35.24 132.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -167.2 127.42 1.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.53 132.58 1.37 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 t -96.97 138.88 33.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -105.87 145.22 31.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.02 -167.81 11.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -117.02 165.74 13.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mp -87.31 123.28 32.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -108.04 156.62 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -122.16 156.48 16.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -94.09 91.3 6.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 0.0 110.812 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.2 pt -76.99 144.4 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -73.9 168.79 18.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.5 m -142.94 110.35 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.29 118.84 1.91 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.1 131.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 72.4 m -105.77 106.24 16.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -55.98 -52.13 65.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 60.4 m-85 -107.01 142.7 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -136.02 134.73 38.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LYS . 8.0 t -94.61 80.07 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.7 tttp -34.25 -56.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.0 m-20 -34.04 -59.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.457 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 30.0 p -105.78 -177.37 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 p -100.77 41.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.87 172.0 7.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.08 167.52 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -146.97 169.78 18.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -93.68 -42.65 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.2 p -109.98 153.98 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.57 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 15.8 tp -73.24 -45.88 53.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -49.8 -22.24 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -89.18 -44.32 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.65 -50.85 69.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' VAL . 21.0 p -42.23 -65.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 53.2 t -37.3 -50.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -66.2 -44.4 84.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.9 mtm -51.85 -49.13 63.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -76.9 -50.24 13.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -43.97 -50.76 8.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.1 p -88.34 -46.16 9.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.91 -36.56 1.67 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.457 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 4.6 m170 -45.04 165.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -142.55 173.77 11.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -41.91 153.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' HB2' ' CB ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -112.58 32.98 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.92 168.0 10.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.82 137.49 45.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -122.3 45.71 2.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -103.99 96.46 6.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -110.49 32.81 4.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.63 128.11 30.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -93.66 141.24 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -110.05 107.59 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -39.66 105.29 0.35 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -6.83 19.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -104.77 89.89 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 60' ' ' TRP . 49.2 mtt180 -101.48 41.52 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' ARG . 10.9 p90 36.7 37.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.9 p -100.67 153.38 19.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 137.12 96.2 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.07 -179.76 3.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -111.78 176.14 5.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.09 172.68 9.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -164.23 175.0 10.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -101.12 -32.4 10.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.0 tp 36.08 51.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -110.91 73.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.8 mmt -66.87 171.11 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -123.26 177.91 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.69 -143.75 9.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -141.65 115.71 9.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 39.28 38.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.71 37.04 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.94 93.03 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -76.17 47.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -128.17 -28.71 2.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.5 ' CG2' ' N ' ' A' ' 81' ' ' LEU . 7.3 p -146.74 166.85 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.584 ' CD1' ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -105.2 135.11 47.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.41 ' HG3' ' C ' ' A' ' 88' ' ' HIS . 18.4 tttt -146.36 120.21 9.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 46.2 t -55.97 144.75 27.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.5 ttm -93.02 -25.84 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 4.2 t80 -64.22 -57.07 10.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.1 p -98.11 -51.62 3.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 108.09 50.66 0.76 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.41 ' C ' ' HG3' ' A' ' 82' ' ' LYS . 9.6 m170 -111.84 135.24 52.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.812 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.8 t -85.66 139.63 31.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.539 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 73.4 m-85 -119.53 142.51 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.83 -32.03 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.5 p -116.72 149.59 39.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.6 -40.74 96.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.501 ' HG3' ' N ' ' A' ' 95' ' ' ASP . 0.7 OUTLIER -57.43 -30.34 64.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.539 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 2.3 m-20 -67.61 -45.33 75.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 2.2 tm? -52.33 -56.99 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.4 t -64.82 -51.64 61.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.3 t -48.51 -39.82 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -71.69 -45.61 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 104' ' ' LYS . 8.2 mtt -50.87 -43.97 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 60.4 mt -79.47 -50.38 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -49.31 -28.67 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.538 ' HB ' ' CD2' ' A' ' 105' ' ' HIS . 46.5 p -117.81 -6.48 11.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 100' ' ' MET . 6.5 mtpm? 56.22 40.54 29.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.538 ' CD2' ' HB ' ' A' ' 103' ' ' THR . 13.6 m170 -74.23 -41.22 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.502 ' O ' ' CG2' ' A' ' 109' ' ' VAL . 2.5 p90 -74.87 -43.58 53.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 2.7 tp60 -57.18 -14.76 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 46.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 106' ' ' TYR . 18.5 m -130.14 91.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.8 t 71.91 41.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.32 144.77 23.73 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -171.64 0.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.395 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.0 m -162.78 173.17 14.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 m -152.86 145.67 24.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -72.26 -47.48 49.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -164.65 139.53 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.41 178.37 45.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -165.57 129.8 2.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.846 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -165.94 167.24 16.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.4 136.79 2.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.405 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -85.56 106.47 16.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -85.06 123.33 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -114.48 167.09 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.24 52.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 m -99.62 84.66 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 pt -99.59 138.8 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -145.28 132.83 20.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.9 t -170.98 143.55 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.7 146.23 18.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.94 167.08 22.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.2 p -149.35 134.58 18.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.72 -57.8 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 46.0 m-85 -101.57 144.68 30.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -124.25 179.11 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.0 t -121.55 93.47 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -38.09 -26.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' CYS . 2.4 m-20 -79.29 -75.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' CYS . 31.4 p -93.3 157.8 16.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -81.45 39.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.22 120.11 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.66 166.39 10.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -139.43 155.74 47.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -42.55 67.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.0 p -117.83 145.78 44.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.552 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 17.9 tp -67.54 -48.26 67.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -44.95 -34.22 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -79.48 -42.5 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.09 -52.5 62.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 37' ' ' VAL . 33.2 p -40.03 -60.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 41' ' ' GLU . 91.9 t -37.41 -49.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -65.95 -55.34 17.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 44' ' ' HIS . 22.7 mtm -45.31 -48.72 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -73.92 -54.26 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 37' ' ' VAL . 3.0 mm-40 -45.65 -59.27 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.6 p -73.55 -50.83 19.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.45 -29.51 1.89 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 39' ' ' MET . 27.3 m170 -50.22 165.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -135.72 163.65 29.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -52.37 178.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -129.03 31.19 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.8 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -113.45 10.95 18.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -90.54 99.54 12.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 50' ' ' HIS . 0.3 OUTLIER -70.7 82.35 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -89.66 -10.78 44.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.9 p -94.92 110.39 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -84.62 138.08 32.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -98.73 163.43 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -119.94 126.82 51.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -48.01 127.61 11.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.706 0.765 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -6.67 19.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -95.6 91.17 6.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -62.64 155.23 26.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -47.28 122.26 4.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 m -109.01 164.94 11.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -59.45 152.53 54.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.582 0.706 . . . . 0.0 110.9 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -175.24 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.321 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.464 ' HD3' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -114.78 149.75 36.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.464 ' N ' ' HD3' ' A' ' 64' ' ' ARG . 26.1 mtmm -43.64 111.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -82.0 25.96 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.2 p -64.37 -176.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 73.62 35.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' N ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -58.35 -177.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -154.52 140.31 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.9 mmt -108.0 136.4 47.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -122.77 178.09 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 0.0 110.797 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.76 133.56 1.68 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -90.54 41.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -127.92 86.67 2.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -173.57 174.84 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 73.2 47.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -97.94 36.67 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HG2' ' N ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -128.57 -31.19 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.456 ' N ' ' HG2' ' A' ' 79' ' ' LYS . 6.8 p -130.36 146.66 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 92' ' ' SER . 20.6 mt -56.04 118.21 4.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -145.29 121.42 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -58.82 150.67 23.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 26.4 tpp -98.85 -31.79 11.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.511 ' CD1' ' CE1' ' A' ' 105' ' ' HIS . 3.2 t80 -54.73 -58.18 8.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 23.3 p -104.57 -50.4 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.7 64.54 0.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -120.84 141.15 50.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 52.8 p -81.12 151.78 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CE1' HD23 ' A' ' 96' ' ' LEU . 77.8 m-85 -136.15 -177.58 4.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -107.0 -54.96 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.499 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 19.3 p -135.03 170.53 15.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.427 ' N ' HD11 ' A' ' 81' ' ' LEU . 2.8 mm? -47.47 -51.83 19.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.66 -58.44 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.02 -44.33 64.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.571 HD23 ' CE1' ' A' ' 90' ' ' PHE . 1.5 tm? -63.46 -65.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 98' ' ' VAL . 18.3 t -38.42 -65.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 102' ' ' LYS . 53.4 t -34.95 -71.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' VAL . 11.6 t60 -37.62 -59.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' LYS . 4.4 mmt -48.75 -36.71 17.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' VAL . 23.1 mt -78.03 -62.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 98' ' ' VAL . 37.7 mttp -48.38 -30.9 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.463 ' OG1' ' CD2' ' A' ' 105' ' ' HIS . 34.1 p -105.66 -16.36 14.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER 61.67 49.27 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.511 ' CE1' ' CD1' ' A' ' 85' ' ' TYR . 20.9 m170 -86.88 -24.43 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.507 ' CE1' ' HG3' ' A' ' 107' ' ' GLN . 1.2 p90 -98.98 -4.73 31.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.507 ' HG3' ' CE1' ' A' ' 106' ' ' TYR . 38.7 mt-30 -100.85 21.33 13.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.93 -22.92 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.39 -16.62 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.8 t -106.4 176.56 5.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -127.78 140.39 11.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -168.77 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -130.37 173.68 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.0 p -120.52 177.39 5.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.4 -0.28 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -51.38 150.44 3.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 m -84.64 -55.22 4.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.97 101.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 p -143.12 132.11 22.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.807 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -172.88 159.98 4.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.8 97.76 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -133.74 172.48 12.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.443 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -138.33 166.6 23.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -116.98 142.53 46.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.14 107.33 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.5 p -171.81 109.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.6 pt -99.43 145.87 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -78.84 105.34 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.5 m -143.42 116.47 8.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.75 67.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.452 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.94 155.33 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.6 p -140.68 122.04 14.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -77.96 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 24.9 m-85 -88.75 174.6 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -153.94 156.09 36.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 t -108.01 128.54 54.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 0.6 OUTLIER -69.57 -61.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.511 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.8 m-20 -44.84 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.802 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.6 p -92.52 161.52 14.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -92.89 40.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.53 121.11 42.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.67 168.1 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -139.29 168.94 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -93.15 -42.19 9.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.1 p -113.6 146.63 39.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.211 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 50.8 tp -62.46 -52.03 65.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.8 p -45.34 -32.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -79.34 -33.65 42.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.34 -54.78 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 39' ' ' MET . 44.2 p -44.15 -65.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -39.27 -35.78 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -80.58 -39.11 28.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' THR . 33.1 mtm -60.23 -37.7 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -84.02 -45.84 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -54.25 -43.85 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.8 p -91.23 -46.1 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.16 -28.46 3.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.511 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 12.1 m170 -47.13 160.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -130.47 161.12 32.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -54.22 118.23 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -55.17 7.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -92.73 158.18 16.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -161.38 138.12 8.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -78.74 98.97 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -144.62 159.21 43.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -115.17 146.57 41.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.31 127.86 34.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -49.34 140.53 10.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -96.49 107.2 19.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.49 84.5 59.12 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.17 15.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -87.05 33.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -133.28 85.7 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -123.64 154.83 38.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.4 m -135.8 144.78 45.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -72.73 151.77 91.24 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.519 0.676 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -176.77 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.477 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -128.53 144.25 51.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 7.1 ptmm? -91.27 136.08 33.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -105.4 179.75 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.0 m -96.39 126.84 41.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.47 HD11 ' N ' ' A' ' 68' ' ' LEU . 0.0 OUTLIER -113.6 39.2 2.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' LEU . 4.6 mp -33.14 144.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.408 ' C ' ' HE1' ' A' ' 71' ' ' MET . 11.0 mp0 -110.03 133.58 53.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.408 ' HE1' ' C ' ' A' ' 70' ' ' GLU . 28.1 mmt -72.06 178.48 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -124.18 176.64 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -126.59 105.94 0.81 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.445 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -140.47 124.58 17.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.698 0.285 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 38.29 45.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' GLN . 3.8 t70 -85.76 178.22 7.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.02 75.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' ASP . 19.9 mm-40 -104.8 176.25 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.51 -27.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.492 ' CG2' ' H ' ' A' ' 81' ' ' LEU . 13.2 p -157.58 170.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.492 ' H ' ' CG2' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -113.62 149.59 34.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -145.98 125.43 13.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.28 155.73 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.3 mtm -97.97 -29.4 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.613 ' CD2' ' CD2' ' A' ' 105' ' ' HIS . 84.0 t80 -76.1 -72.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.485 ' HB3' ' CE1' ' A' ' 105' ' ' HIS . 30.6 p -79.34 -42.63 25.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.02 79.64 1.17 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.91 136.08 35.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.5 p -82.49 131.81 35.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.498 ' CD2' HD21 ' A' ' 96' ' ' LEU . 93.3 m-85 -113.12 145.27 41.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.41 -44.2 79.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.6 p -116.51 163.49 15.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.777 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -72.24 -45.13 61.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -48.14 -44.14 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -55.91 -45.0 78.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD21 ' CD2' ' A' ' 90' ' ' PHE . 3.3 tm? -55.41 -50.27 70.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 71.0 m -59.86 -66.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.462 HG13 ' N ' ' A' ' 99' ' ' HIS . 14.5 p -50.04 -28.45 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.462 ' N ' HG13 ' A' ' 98' ' ' VAL . 7.7 t60 -65.53 -54.91 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.7 mmt -49.67 -64.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.0 mp -48.68 -41.25 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -63.45 -39.62 94.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 104' ' ' LYS . 47.7 p -106.7 19.72 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 100' ' ' MET . 16.0 mttp 34.27 42.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.613 ' CD2' ' CD2' ' A' ' 85' ' ' TYR . 38.4 m170 -80.79 -37.66 29.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.505 ' CE2' ' HG2' ' A' ' 107' ' ' GLN . 4.2 p90 -53.15 -39.81 63.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.505 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 23.6 mm-40 -77.06 -46.75 22.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 4.9 mmpt? -88.8 110.88 21.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 75.9 t -123.72 -39.85 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.6 p -163.97 150.44 11.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -107.27 144.64 15.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -179.91 3.23 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.384 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.0 t -148.63 171.88 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -156.45 173.72 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.495 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -154.12 176.75 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -123.85 -46.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.94 81.83 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -107.63 104.52 14.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.831 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -158.72 115.04 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.1 120.88 1.19 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -149.47 113.52 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -40.2 145.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -73.48 114.17 11.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.44 -122.99 2.27 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m 55.62 44.93 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 pt -102.67 133.13 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -73.97 118.39 16.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.8 p -136.38 121.74 19.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.131 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.93 71.79 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.49 175.79 10.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.6 p -119.91 99.72 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.91 -58.94 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -102.15 155.01 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -142.97 141.17 31.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 t -79.23 130.49 35.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.78 24.07 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.479 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . 7.0 t70 -126.44 -53.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.3 p -111.56 -178.85 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -91.33 36.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.86 152.13 35.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.148 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.73 170.56 15.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -148.14 172.6 14.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -98.07 -42.09 7.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -107.37 134.06 50.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.549 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.1 OUTLIER -53.55 -56.0 20.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.954 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -41.35 -24.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.1 mt-10 -91.01 -32.39 15.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 32' ' ' LEU . 59.0 tp -76.66 -48.92 17.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.473 ' O ' ' N ' ' A' ' 39' ' ' MET . 1.2 t -49.77 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.477 ' O ' ' CG ' ' A' ' 41' ' ' GLU . 14.4 p -37.25 -31.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' THR . 7.0 t60 -87.28 -40.14 14.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 36' ' ' THR . 67.4 mtm -66.76 -52.35 45.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.56 -27.9 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 27.6 mm-40 -77.41 -71.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.0 p -66.14 -3.95 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.77 -18.03 46.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.479 ' CG ' ' HB3' ' A' ' 24' ' ' ASP . 32.9 m170 -54.04 -178.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.443 ' C ' ' SD ' ' A' ' 39' ' ' MET . 1.5 t80 -156.72 -176.38 5.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' NE ' ' OD1' ' A' ' 48' ' ' ASP . 24.7 ptt-85 -104.35 157.86 16.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.468 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 1.8 t70 -97.37 75.08 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.466 ' OD1' ' NE ' ' A' ' 46' ' ' ARG . 6.7 m-20 -70.99 161.28 31.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -84.55 119.1 24.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.4 m170 -99.17 41.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 53.59 41.6 32.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.4 p -60.02 128.62 37.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.73 126.87 29.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -117.27 130.14 56.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -122.84 110.73 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -108.99 112.75 59.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.69 12.54 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -99.99 115.08 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.937 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.8 ppt_? -40.29 150.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 7.8 p90 -102.87 171.66 7.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.9 p -103.6 -178.92 3.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -108.34 144.18 28.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.601 0.715 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -178.8 2.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -92.09 179.98 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -77.2 169.1 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -130.31 -179.5 5.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -115.25 161.43 18.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.814 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -118.74 70.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mp -59.85 178.13 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -130.59 136.84 49.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.7 mmt -108.86 175.78 5.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -124.82 -177.33 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.66 -118.25 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.514 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 75' ' ' GLU . 1.9 pttp -116.23 38.51 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.714 0.292 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 74' ' ' LYS . 6.7 pt-20 28.1 44.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' LYS . 20.7 t70 -165.71 177.24 7.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 74' ' ' LYS . . . 55.27 51.98 12.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -112.93 -52.21 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -133.94 48.62 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.501 HG23 ' N ' ' A' ' 81' ' ' LEU . 7.1 p -175.4 144.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.501 ' N ' HG23 ' A' ' 80' ' ' VAL . 14.9 mt -83.07 101.29 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 89' ' ' SER . 3.9 tppp? -130.11 137.96 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.564 ' O ' ' N ' ' A' ' 87' ' ' GLY . 22.6 t -90.81 103.14 15.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.798 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' TYR . 28.6 mmm -47.11 -48.66 22.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.41 ' C ' ' O ' ' A' ' 84' ' ' MET . 19.8 t80 -37.16 -66.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 18.7 p -101.24 -51.97 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 109.69 61.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.471 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 9.0 m170 -118.26 105.5 11.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.457 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 88.1 p -63.4 146.95 52.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.569 ' CD2' HD21 ' A' ' 96' ' ' LEU . 97.7 m-85 -131.58 -179.14 5.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 9.5 pm0 -118.28 -37.75 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.77 148.32 42.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.771 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.14 -47.81 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 96' ' ' LEU . 2.9 tt0 -45.16 -66.15 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.525 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.2 m-20 -36.94 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.569 HD21 ' CD2' ' A' ' 90' ' ' PHE . 2.4 tm? -87.49 -57.72 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.413 ' O ' HD11 ' A' ' 101' ' ' ILE . 23.1 t -52.36 -18.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.418 ' O ' ' HG2' ' A' ' 102' ' ' LYS . 7.2 p -95.93 -47.9 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.549 ' HA ' ' CG ' ' A' ' 102' ' ' LYS . 7.8 t60 -47.27 -50.52 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.795 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.7 mmt -51.48 -43.04 62.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.413 HD11 ' O ' ' A' ' 97' ' ' SER . 1.8 mp -73.19 -65.9 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.549 ' CG ' ' HA ' ' A' ' 99' ' ' HIS . 0.0 OUTLIER -44.66 -33.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.823 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.1 p -105.21 -6.51 19.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER 48.1 52.41 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -89.56 -52.24 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.492 ' CE1' ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -60.17 -23.2 63.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.979 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.492 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 6.5 mm100 -88.26 35.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -128.75 -36.32 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.2 m -48.73 -20.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 p -114.8 174.03 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 167.88 120.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 165.5 30.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -171.44 151.38 3.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.7 m -150.92 177.07 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -171.24 164.32 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 0.0 110.815 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -171.75 137.29 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.774 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.64 -145.39 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p -161.72 169.41 21.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -76.57 178.02 7.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.24 -168.23 13.74 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -111.72 122.41 47.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.78 6.34 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -109.38 150.92 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.82 -115.57 3.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.5 p -155.56 121.77 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.826 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.9 pt -70.83 169.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -106.46 156.42 18.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.1 m -150.45 112.62 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.18 131.59 1.53 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.22 171.12 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.0 p -115.39 82.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -41.8 -58.43 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 23.3 m-85 -113.52 154.26 27.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -148.06 122.53 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' LYS . 4.0 t -73.37 77.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' CYS . 8.6 tttm -35.91 -51.36 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -39.18 -70.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.48 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 32.0 p -90.95 177.92 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.3 p -93.44 39.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.67 160.07 30.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.93 169.04 18.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -145.84 154.91 42.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.38 -42.21 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.2 p -106.28 146.08 30.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 63.0 tp -66.47 -49.2 67.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.76 -18.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.52 -30.42 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 tp -78.69 -53.35 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.0 p -42.05 -66.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -37.41 -37.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -78.15 -45.61 22.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.471 ' HE1' ' CD ' ' A' ' 46' ' ' ARG . 54.9 mtm -58.08 -43.95 87.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -76.05 -28.7 57.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -69.9 -45.24 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.797 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.9 p -93.19 -30.29 15.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.149 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.12 -21.17 8.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.407 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.48 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 15.8 m170 -52.14 179.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.462 ' C ' ' SD ' ' A' ' 39' ' ' MET . 10.1 m-85 -152.1 174.26 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.471 ' CD ' ' HE1' ' A' ' 39' ' ' MET . 0.3 OUTLIER -48.16 177.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.862 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.55 -27.16 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -72.05 127.5 32.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -74.92 92.32 2.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.57 0.5 24.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.92 115.41 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 9.2 m -85.78 17.75 3.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -73.33 169.61 16.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -141.28 166.32 25.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -144.57 -175.24 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.458 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 15.7 t30 61.76 54.92 2.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.54 0.686 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 56' ' ' ASN . 53.7 Cg_endo -69.77 7.73 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.42 ' H ' ' C ' ' A' ' 56' ' ' ASN . 20.7 mmmt 51.04 47.61 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -86.95 88.1 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 -90.59 179.56 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 62' ' ' LYS . 53.9 p -160.43 154.54 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' SER . 3.6 ptmm? -36.7 155.15 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.54 0.686 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 62' ' ' LYS . 54.3 Cg_endo -69.7 -177.77 2.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -72.79 166.0 23.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -52.86 -179.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -41.19 142.54 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.406 ' C ' HD21 ' A' ' 68' ' ' LEU . 7.4 p -164.22 118.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.406 HD21 ' C ' ' A' ' 67' ' ' SER . 2.0 mt -107.36 66.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tp -127.91 91.48 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -134.8 93.68 3.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -110.24 143.38 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -137.31 169.41 17.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.5 -128.4 1.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -132.49 48.46 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.66 0.267 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -80.27 46.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -102.95 83.68 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.65 39.77 3.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 79' ' ' LYS . 72.6 mt-30 -127.97 -43.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 78' ' ' GLN . 45.3 tttm -37.19 -48.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 81' ' ' LEU . 3.7 p -171.32 143.17 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.488 ' N ' HG22 ' A' ' 80' ' ' VAL . 25.2 mt -65.68 81.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.43 ' CB ' ' HA ' ' A' ' 89' ' ' SER . 1.3 ptmm? -129.62 130.89 46.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.503 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 2.6 t -55.31 147.32 17.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 14.9 ttm -85.65 -35.1 21.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.42 ' HB3' ' ND1' ' A' ' 105' ' ' HIS . 10.5 t80 -53.88 -63.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.4 p -94.54 -57.15 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.503 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 112.94 43.96 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.471 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 6.8 m170 -96.95 102.88 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.838 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.43 ' HA ' ' CB ' ' A' ' 82' ' ' LYS . 4.7 t -60.91 136.58 58.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 88' ' ' HIS . 83.7 m-85 -125.22 168.53 13.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -92.78 -53.25 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.1 p -107.69 164.07 12.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -42.72 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 tp60 -47.8 -59.56 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -45.33 -35.86 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -73.4 -49.08 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.8 t -60.72 -66.18 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 99' ' ' HIS . 13.8 p -42.0 -27.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.485 ' N ' HG13 ' A' ' 98' ' ' VAL . 7.9 t60 -75.29 -50.45 16.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.503 ' HB3' ' CD1' ' A' ' 106' ' ' TYR . 5.2 mtt -47.03 -35.78 7.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.11 -50.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -52.73 -25.32 10.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 66.7 p -116.49 -18.06 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.21 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.46 41.32 12.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.42 ' ND1' ' HB3' ' A' ' 85' ' ' TYR . 31.3 m170 -76.87 -52.9 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.852 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.503 ' CD1' ' HB3' ' A' ' 100' ' ' MET . 2.9 p90 -55.92 -38.89 70.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.501 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 14.7 mm-40 -39.98 -61.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -39.31 -34.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.76 51.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 t -148.32 176.21 10.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.58 118.11 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 176.25 7.01 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.351 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t -172.89 142.53 1.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 61.7 m -94.53 176.37 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.547 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 p -152.86 121.06 6.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.373 . . . . 0.0 110.85 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -120.44 177.16 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.91 -154.33 8.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -170.41 148.62 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.389 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 m -158.62 173.85 15.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.888 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.41 -174.83 36.15 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.442 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -166.44 129.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -117.87 135.41 54.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -87.81 152.88 21.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.57 -161.43 12.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.2 m -160.09 124.36 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.834 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.8 mt -98.65 134.68 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.23 128.5 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.9 m -111.28 39.7 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -41.27 123.48 2.72 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.434 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -161.7 158.1 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -156.83 136.54 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.782 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.7 -45.42 61.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 24.4 m-85 -110.78 154.84 23.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' HG3' ' C ' ' A' ' 20' ' ' PHE . 25.7 mtm180 -146.42 128.68 15.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' LYS . 13.2 t -85.26 84.64 7.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 22' ' ' CYS . 22.2 tptt -34.11 -55.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' LYS . 14.8 t0 -35.98 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' CYS . 26.4 p -90.26 179.39 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -96.98 37.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.65 165.05 12.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.3 161.79 39.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.049 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -141.36 149.49 41.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.74 -41.78 59.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.2 p -111.34 156.29 21.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 62.7 tp -71.83 -46.68 57.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -49.96 -32.63 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -76.51 -31.46 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 tp -78.1 -49.04 14.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' MET . 32.8 p -43.54 -66.12 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -37.44 -41.47 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 24.8 t60 -72.62 -42.3 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' GLY . 24.6 mtm -59.58 -49.08 79.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -65.15 -49.43 69.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.99 -66.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.7 p -72.2 -48.75 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 116.02 30.53 2.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.512 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 21.8 m170 -93.83 -174.5 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.828 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 18.2 m-85 -150.65 139.06 20.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 161.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -88.32 73.46 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -125.96 159.35 32.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -52.92 132.77 37.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -111.01 166.77 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -95.67 150.32 20.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.0 m -71.07 149.2 46.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -134.02 40.67 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 13.8 m-80 -89.37 150.49 22.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.39 139.07 52.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -75.52 113.28 24.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.483 ' HB2' ' CD1' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.79 4.85 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 57' ' ' PRO . 18.9 ptmt -31.79 109.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' TRP . 0.0 OUTLIER 74.85 54.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.483 ' CD1' ' HB2' ' A' ' 57' ' ' PRO . 1.6 m-90 -36.95 146.56 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m -40.35 161.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.52 146.52 0.7 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.63 -178.7 2.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.53 126.37 38.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -142.57 175.88 9.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -172.84 166.84 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.7 p -121.52 137.81 54.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.813 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.7 mt -115.56 69.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.438 HD13 ' C ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -91.39 82.53 5.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -134.91 69.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -104.16 27.97 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -106.59 140.66 39.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 156.87 73.42 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -133.72 123.7 25.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.698 0.285 . . . . 0.0 110.917 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 74' ' ' LYS . 10.4 pt-20 28.67 43.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' LYS . 12.9 p-10 -77.02 127.81 33.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 68.15 53.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -100.58 52.01 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -48.94 -26.08 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.3 p -115.08 157.17 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.103 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.43 109.79 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 87' ' ' GLY . 17.0 mttm -127.63 171.28 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 87' ' ' GLY . 7.7 t -114.2 112.25 22.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.2 mtm -49.43 -49.09 46.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.452 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 2.0 t80 -40.67 -70.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.7 p -99.93 -53.17 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 108.56 74.07 0.82 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -126.93 116.81 21.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.3 p -74.36 135.0 42.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.473 ' CD2' HD22 ' A' ' 96' ' ' LEU . 96.2 m-85 -123.99 153.66 40.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -79.58 -45.78 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.2 m -114.0 162.97 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -53.65 31.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -38.64 -38.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -63.23 -48.31 78.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.527 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 1.7 tm? -63.17 -55.13 27.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 57.0 m -48.53 -58.98 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.456 ' O ' ' C ' ' A' ' 99' ' ' HIS . 86.6 t -49.29 -66.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.8 t60 -33.68 -53.32 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 104' ' ' LYS . 5.5 mtp -44.55 -53.63 6.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 4.7 mp -70.43 -42.97 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -51.11 -30.33 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.3 p -123.54 4.91 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 100' ' ' MET . 27.6 mttp 50.0 39.78 19.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -72.57 -32.0 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.552 ' CG ' ' N ' ' A' ' 107' ' ' GLN . 32.1 p90 -59.63 -53.13 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.552 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -49.68 -18.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' HD3' ' O ' ' A' ' 108' ' ' LYS . 6.6 tmtt? -90.28 46.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 27.1 m -125.57 110.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.3 p -152.48 170.9 19.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -166.73 127.06 1.53 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 130.75 20.0 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.719 2.279 . . . . 0.0 112.38 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.5 p -172.58 120.55 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.1 m -96.05 -47.15 6.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.38 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -132.97 110.7 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.847 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -173.62 146.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.61 105.82 0.7 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.569 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -102.62 130.33 49.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.902 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -155.1 147.65 24.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.39 -96.9 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -117.96 124.37 48.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.508 ' CD1' ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -67.99 79.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -95.72 128.62 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.97 -164.07 15.95 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -125.15 105.29 9.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mt -67.35 128.09 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -61.28 -175.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -157.45 140.31 15.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.79 -178.42 35.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.29 140.47 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.729 0.299 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 8.2 t -164.02 116.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -76.31 -40.64 50.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 52.8 m-85 -132.51 176.32 8.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -151.41 173.76 14.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 25' ' ' CYS . 2.6 t -116.69 125.33 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 10.7 pttt -58.34 -40.13 81.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.2 m-20 -72.39 -76.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' CYS . 27.7 p -82.84 159.97 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -88.97 40.31 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.44 177.32 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.64 161.39 39.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -139.9 171.04 14.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -92.86 -42.41 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.0 p -116.49 132.12 56.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.595 ' CD1' ' C ' ' A' ' 32' ' ' LEU . 0.2 OUTLIER -51.07 -62.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' LEU . 32.6 m -33.41 -37.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' LEU . 90.5 mt-10 -75.27 -50.48 15.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' LEU . 17.9 tp -52.58 -56.81 12.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -40.13 -54.46 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.0 t -41.16 -60.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -53.7 -44.4 69.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 29.2 mtm -58.6 -46.63 86.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -58.75 3.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -47.17 -63.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.9 p -66.73 -52.16 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.43 -20.55 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.419 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.486 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 17.6 m170 -55.29 -175.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -164.01 172.02 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -69.79 157.49 37.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.68 -44.81 10.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.24 15.09 3.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -53.91 158.93 1.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -81.07 109.93 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -114.18 171.01 7.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.7 p -60.84 154.06 22.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.43 124.36 22.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -46.51 -55.54 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 60.92 40.38 15.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' OD1' ' HD2' ' A' ' 57' ' ' PRO . 9.4 t30 -57.73 130.0 81.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD2' ' OD1' ' A' ' 56' ' ' ASN . 54.1 Cg_endo -69.78 1.4 4.48 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.677 2.251 . . . . 0.0 112.391 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 48.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.949 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.453 ' HG2' ' N ' ' A' ' 60' ' ' TRP . 25.3 ttt85 -76.76 154.21 34.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.453 ' N ' ' HG2' ' A' ' 59' ' ' ARG . 10.6 m95 -89.21 177.96 6.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 p -115.54 171.86 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.88 158.47 37.64 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.549 0.69 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -178.81 2.53 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.262 . . . . 0.0 112.307 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 2.8 tmm_? -101.17 148.36 25.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 23.9 mttt -51.24 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -120.83 177.27 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' ARG . 66.2 m -36.85 145.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.61 30.6 5.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -45.07 128.99 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -94.77 126.14 39.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -96.83 122.25 39.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -92.08 152.28 20.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -115.08 -120.02 3.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.05 80.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -105.7 157.59 17.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -160.3 169.72 22.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.12 46.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -113.82 165.17 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -128.48 26.06 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.975 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 90' ' ' PHE . 4.2 p -171.65 145.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.087 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.0 mt -49.55 134.32 19.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.472 ' HE3' ' N ' ' A' ' 89' ' ' SER . 3.0 tptt -137.29 132.84 34.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 13.7 t -55.19 129.1 36.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.8 mtm -74.57 7.37 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -123.93 -58.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 87' ' ' GLY . 15.6 p -108.75 17.72 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 86' ' ' CYS . . . 32.07 68.94 0.13 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.49 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.514 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 2.6 t-160 -106.72 120.91 43.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.472 ' N ' ' HE3' ' A' ' 82' ' ' LYS . 25.2 p -61.7 144.97 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.53 ' CE2' ' CD2' ' A' ' 96' ' ' LEU . 90.9 m-85 -137.3 171.97 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -98.82 -47.04 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m -130.58 166.23 21.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.808 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -57.48 -59.16 5.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -37.77 -47.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -56.73 -39.7 74.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.537 ' CD1' ' C ' ' A' ' 96' ' ' LEU . 2.2 tm? -71.8 -51.83 20.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.2 t -54.84 -38.0 66.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.483 ' O ' ' C ' ' A' ' 99' ' ' HIS . 23.7 t -71.98 -65.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.483 ' C ' ' O ' ' A' ' 98' ' ' VAL . 18.4 t60 -31.71 -57.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 104' ' ' LYS . 17.6 mmm -43.56 -64.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.2 mt -58.26 -40.86 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.425 ' CG ' HG12 ' A' ' 98' ' ' VAL . 20.0 mmtt -57.58 -34.86 69.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.6 p -111.94 9.62 20.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 100' ' ' MET . 30.9 mttt 48.95 43.67 21.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -83.79 -27.0 29.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 107' ' ' GLN . 12.2 p90 -66.28 -38.31 87.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.579 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 46.1 tp60 -98.56 52.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -129.84 -44.8 1.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.962 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 33.5 m -37.13 112.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 p 44.57 45.05 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -125.34 127.4 6.24 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.448 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 167.85 23.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.296 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.5 t -105.16 -48.94 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.9 m -53.87 153.69 4.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -163.07 158.36 21.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.936 0.398 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -153.8 173.37 15.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.4 139.84 3.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m -119.22 146.89 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.362 . . . . 0.0 110.852 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m -82.07 165.57 20.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.28 158.26 14.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -150.04 153.0 35.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mt -132.99 162.34 31.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -128.21 172.48 10.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.66 -134.64 2.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -129.53 107.13 9.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 0.0 110.834 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.6 pt -88.27 141.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -97.8 150.84 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' GLY . 38.4 m -116.55 110.39 18.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' THR . . . 37.15 82.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.556 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.9 167.39 15.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -174.89 129.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.43 -54.06 45.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 60.3 m-85 -103.1 140.57 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -136.52 119.27 16.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' LYS . 8.3 t -77.27 81.46 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' ASP . 7.1 ttpp -36.85 -54.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.2 m-20 -34.38 -61.93 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.448 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 28.8 p -101.69 -175.71 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -100.8 39.81 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.25 173.53 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.25 167.75 29.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -147.61 159.2 44.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.6 -46.28 9.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -109.99 142.65 41.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 18.0 tp -58.13 -46.65 85.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -47.02 -20.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -91.2 -46.5 8.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.73 -51.38 65.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.9 p -42.59 -63.48 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.1 t -43.06 -43.9 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.42 ' CE1' HG21 ' A' ' 42' ' ' THR . 21.9 t60 -67.59 -41.99 83.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 43' ' ' GLY . 51.7 mtm -54.86 -45.39 74.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -79.98 -45.31 18.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.54 -37.67 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.42 HG21 ' CE1' ' A' ' 38' ' ' HIS . 60.9 p -102.1 -42.74 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.226 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 131.73 -36.06 2.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.448 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 8.8 m170 -43.78 167.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -135.12 -177.98 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -55.45 161.5 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.441 ' C ' ' OD1' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -112.33 34.05 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -105.04 163.19 12.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.96 153.42 25.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -93.71 144.13 25.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -95.72 168.51 10.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.2 p -70.0 175.01 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.224 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -38.78 134.92 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.6 OUTLIER -49.53 -47.47 48.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -47.53 92.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.449 ' C ' ' H ' ' A' ' 58' ' ' LYS . 7.8 m120 -129.47 159.93 66.9 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.638 0.732 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.539 ' O ' ' C ' ' A' ' 58' ' ' LYS . 54.0 Cg_endo -69.67 10.49 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.737 2.292 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.539 ' C ' ' O ' ' A' ' 57' ' ' PRO . 9.5 ttmt -25.03 102.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 60' ' ' TRP . 0.6 OUTLIER -52.49 173.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.819 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.482 ' C ' ' O ' ' A' ' 59' ' ' ARG . 4.1 t-105 -31.08 117.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.35 118.35 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.425 ' HD2' ' CZ2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -175.7 154.73 1.55 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.98 29.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -65.17 178.64 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -42.14 164.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -46.48 162.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.1 m -86.98 174.89 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.43 ' O ' ' C ' ' A' ' 69' ' ' LEU . 5.4 tt -128.15 76.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 68' ' ' LEU . 4.1 mm? -35.15 141.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 71' ' ' MET . 34.5 mp0 -122.38 93.47 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.458 ' N ' ' HE2' ' A' ' 71' ' ' MET . 33.3 mmt -34.69 141.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -92.96 -76.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . 0.513 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -161.93 120.98 0.98 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.551 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 73' ' ' GLY . 17.7 mmtp 28.78 53.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.956 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -94.13 38.09 1.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -108.29 177.12 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 71.14 44.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -110.83 40.17 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -116.3 -40.4 3.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' LEU . 7.2 p -133.42 145.16 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' VAL . 19.5 mt -36.32 109.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -134.15 139.79 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' GLY . 16.6 t -90.73 107.49 19.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.6 ttp -53.51 -44.18 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.417 ' CD1' ' CD2' ' A' ' 105' ' ' HIS . 17.2 t80 -41.54 -70.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 26.6 p -93.5 -48.97 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 105.15 58.74 0.66 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -120.89 117.42 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.2 p -72.81 132.65 43.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CD2' HD21 ' A' ' 96' ' ' LEU . 94.1 m-85 -114.84 -175.55 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.72 -43.18 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.6 m -115.4 154.11 29.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -59.28 -55.3 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 93' ' ' LEU . 35.9 tp60 -36.01 -48.33 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.496 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.6 OUTLIER -57.51 -53.52 57.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 90' ' ' PHE . 1.8 tm? -59.11 -50.44 74.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.2 m -54.26 -52.52 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.457 ' O ' ' C ' ' A' ' 99' ' ' HIS . 98.1 t -62.85 -69.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.6 t60 -33.25 -40.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.0 mmt -58.32 -68.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.7 mp -56.55 -40.26 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -53.75 -38.45 64.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 78.7 p -114.69 11.6 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 100' ' ' MET . 2.6 mppt? 47.72 36.65 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.417 ' CD2' ' CD1' ' A' ' 85' ' ' TYR . 24.8 m170 -74.33 -19.82 60.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -76.01 5.14 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -119.64 -172.9 2.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? 64.12 26.13 13.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.9 m -106.31 171.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 95.2 p -87.07 101.36 13.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.96 111.53 0.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -177.84 2.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.745 2.297 . . . . 0.0 112.345 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.3 m -154.61 158.8 40.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 p -170.48 168.81 7.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.809 0.337 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.454 ' HB3' HD22 ' A' ' 35' ' ' LEU . 36.5 m-85 -107.07 161.12 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -145.62 151.24 37.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 51.6 t -97.52 136.81 37.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -71.0 -61.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.506 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.4 m-20 -43.95 -73.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.13 178.05 5.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.0 m -102.25 40.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.81 109.51 21.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.057 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.64 156.32 16.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -134.25 172.62 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -102.18 -42.57 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.407 ' HB ' HG12 ' A' ' 33' ' ' VAL . 71.4 p -108.18 136.44 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 56.9 tp -57.58 -41.09 80.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 37' ' ' VAL . 6.2 p -53.85 -25.71 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -84.96 -41.04 16.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.454 HD22 ' HB3' ' A' ' 20' ' ' PHE . 17.8 tp -63.79 -57.43 9.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.9 p -42.16 -50.68 4.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG12 ' OE1' ' A' ' 41' ' ' GLU . 54.8 t -48.21 -43.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -71.9 -41.85 67.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.4 mtm -54.64 -35.91 63.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -90.94 -47.85 7.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' OE1' HG12 ' A' ' 37' ' ' VAL . 27.9 mt-10 -49.0 -55.11 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.3 p -88.92 -40.5 13.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.61 -29.18 4.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.506 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 14.1 m170 -47.37 174.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 0.0 110.805 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.94 0.4 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -145.08 128.84 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 85' ' ' TYR . 47.7 t -72.05 131.39 42.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.5 ttp -78.11 -19.86 53.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.419 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 3.8 t80 -71.67 -60.76 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.0 p -95.1 -54.38 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 104.06 71.83 0.87 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.481 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 5.9 t-160 -139.3 106.68 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 m -57.52 149.11 21.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 97.7 m-85 -130.92 175.24 9.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -106.22 -47.34 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -112.91 160.92 17.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 30.6 mt -60.41 -55.13 37.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.63 ' O ' HG12 ' A' ' 98' ' ' VAL . 43.6 tp60 -37.78 -60.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.488 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 4.0 m-20 -41.82 -41.64 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.587 HD13 ' C ' ' A' ' 96' ' ' LEU . 2.0 tm? -72.75 -54.15 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.6 m -57.97 -62.36 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.8 p -48.12 -21.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -83.78 -47.76 10.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.487 ' HG3' HD13 ' A' ' 96' ' ' LEU . 5.8 mtp -51.44 -30.73 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 17.5 mt -88.76 -53.56 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.525 ' HD2' HG22 ' A' ' 98' ' ' VAL . 8.8 mtpm? -54.51 -22.65 13.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.1 p -116.24 -14.42 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 53.49 46.37 26.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -81.77 -34.03 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.5 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.729 ' HB3' HD22 ' A' ' 35' ' ' LEU . 40.4 m-85 -82.59 145.26 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 mtp85 -135.78 131.33 35.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.33 144.54 31.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ASP . 12.9 tttm -78.57 -65.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.491 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.3 m-20 -34.52 -65.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.8 p -100.36 -175.19 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.7 p -107.97 47.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.38 168.06 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.23 140.34 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -123.45 166.55 15.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.0 -40.68 10.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 p -108.86 135.65 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.7 tp -57.91 -49.03 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 34' ' ' GLU . 10.0 p -45.07 -40.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.232 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 33' ' ' VAL . 7.1 mt-10 -72.59 -39.77 67.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 20' ' ' PHE . 28.9 tp -65.13 -60.92 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 7.9 p -37.11 -43.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 33' ' ' VAL . 73.2 t -56.01 -55.76 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -58.34 -31.25 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.7 mtm -68.03 -55.09 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -69.46 -29.64 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -71.01 -68.45 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.1 p -74.18 2.2 9.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.41 -31.71 4.08 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 42.4 m170 -43.74 159.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.828 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.558 ' CD1' ' C ' ' A' ' 92' ' ' SER . 10.9 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.916 0.389 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 89' ' ' SER . 2.1 tptp -141.37 140.86 33.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 19.0 t -74.54 158.21 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -97.4 -38.89 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 4.5 t80 -63.4 -61.82 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 29.8 p -102.42 -49.41 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 100.39 81.96 1.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.562 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 7.0 m170 -122.61 126.42 47.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.35 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.479 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 80.6 p -74.04 114.74 12.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.562 ' CE2' ' O ' ' A' ' 88' ' ' HIS . 41.2 m-85 -107.65 140.86 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -63.68 -32.84 74.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.558 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 53.8 p -154.41 165.49 36.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -50.92 -46.43 60.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' LEU . 7.5 tp-100 -35.89 -65.14 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.0 -42.81 80.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -52.28 -57.22 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.8 m -52.58 -61.24 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.04 -50.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.72 -45.48 94.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 104' ' ' LYS . 9.1 mtt -59.08 -51.58 69.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.51 -48.95 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -61.43 -64.31 0.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.4 p -66.82 -20.94 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' MET . 6.5 mmtp 62.97 53.13 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.409 ' ND1' ' HB3' ' A' ' 85' ' ' TYR . 34.8 m170 -95.22 -33.77 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.838 0.352 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 61.2 m-85 -113.93 161.02 18.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -149.94 127.08 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.71 135.51 41.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -71.87 -64.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -44.82 -66.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 27' ' ' ALA . 14.6 p -96.97 155.68 16.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -84.46 36.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.536 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . . . -99.7 127.25 45.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.56 155.68 27.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -134.45 159.42 41.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.491 ' OD2' HG23 ' A' ' 31' ' ' THR . 5.7 p-10 -77.77 -48.05 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.491 HG23 ' OD2' ' A' ' 30' ' ' ASP . 61.6 p -112.72 143.63 43.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' LEU . 21.5 tp -52.91 -49.9 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 34' ' ' GLU . 33.7 m -40.27 -44.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.491 ' N ' HG23 ' A' ' 33' ' ' VAL . 57.7 mt-10 -68.35 -33.96 75.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' LEU . 24.6 tp -71.74 -53.2 14.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.446 HG23 ' HG ' ' A' ' 32' ' ' LEU . 39.4 p -48.76 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 p -36.82 -33.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' THR . 8.9 t60 -82.78 -45.24 14.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' THR . 38.0 mtm -56.5 -43.11 79.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -71.25 -51.33 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -51.11 -66.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.6 p -70.1 -48.97 55.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.64 27.75 2.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.508 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -90.21 -175.34 4.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 24.2 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.958 0.409 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -145.73 145.0 30.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 87' ' ' GLY . 41.8 t -91.87 108.55 20.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 7.5 tpp -49.88 -40.42 42.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.418 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 5.2 t80 -52.54 -72.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 23.1 p -92.0 -50.89 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 100.25 57.67 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -108.63 100.76 9.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -55.87 137.86 49.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.649 ' CD1' ' CG ' ' A' ' 95' ' ' ASP . 61.0 m-85 -129.92 169.21 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -96.47 -47.15 6.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.7 p -119.28 162.5 18.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.6 tp -61.29 -38.27 86.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -39.8 -58.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.649 ' CG ' ' CD1' ' A' ' 90' ' ' PHE . 6.5 t0 -53.3 -56.52 15.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.48 HD13 ' HG3' ' A' ' 100' ' ' MET . 2.6 tm? -52.38 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.463 ' O ' HD12 ' A' ' 101' ' ' ILE . 6.7 t -42.09 -69.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.593 HG12 ' HE2' ' A' ' 102' ' ' LYS . 92.5 t -44.68 -55.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -46.61 -50.65 17.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.48 ' HG3' HD13 ' A' ' 96' ' ' LEU . 4.3 mtt -47.8 -46.32 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.485 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 4.7 mp -74.89 -60.0 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.593 ' HE2' HG12 ' A' ' 98' ' ' VAL . 22.3 mtmt -41.37 -46.92 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.551 ' HB ' ' CD2' ' A' ' 105' ' ' HIS . 78.6 p -93.06 -13.82 28.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' ' 101' ' ' ILE . 3.1 mppt? 54.85 38.25 29.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.551 ' CD2' ' HB ' ' A' ' 103' ' ' THR . 26.4 m170 -67.43 -53.71 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.828 0.347 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CD2' HD13 ' A' ' 32' ' ' LEU . 54.5 m-85 -119.85 157.77 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -137.29 175.76 9.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 24' ' ' ASP . 8.9 t -126.09 90.39 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.6 ttpt -33.87 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' CYS . 5.4 t70 -72.21 -70.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 22' ' ' CYS . 30.2 p -101.49 152.89 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -78.35 42.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.65 120.66 42.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.57 160.52 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -136.34 147.27 47.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.83 -40.52 97.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.3 p -121.73 153.51 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 20' ' ' PHE . 45.9 tp -64.58 -49.27 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 34' ' ' GLU . 7.4 p -44.1 -45.69 2.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.603 ' O ' HG12 ' A' ' 37' ' ' VAL . 6.5 mm-40 -63.31 -28.81 70.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.425 HD23 HD12 ' A' ' 32' ' ' LEU . 17.3 tp -81.36 -53.01 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 p -46.01 -43.17 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 34' ' ' GLU . 10.2 p -58.84 -30.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.31 -40.03 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.421 ' SD ' ' C ' ' A' ' 45' ' ' TYR . 27.5 mtm -57.44 -38.54 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -82.5 -43.76 16.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -55.11 -57.86 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.7 p -80.63 -45.93 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.36 -27.87 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -45.78 163.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.421 ' C ' ' SD ' ' A' ' 39' ' ' MET . 4.3 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.74 HD13 ' HA ' ' A' ' 93' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.849 0.356 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -146.92 154.76 41.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' A' ' 87' ' ' GLY . 27.1 t -102.27 103.84 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.8 ttm -54.2 -44.18 71.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.408 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 2.4 t80 -39.25 -65.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.9 p -102.52 -49.38 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 110.83 82.89 1.33 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.544 ' O ' ' CE1' ' A' ' 90' ' ' PHE . 3.8 m80 -141.18 109.88 6.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.0 p -75.95 138.96 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.544 ' CE1' ' O ' ' A' ' 88' ' ' HIS . 79.6 m-85 -125.16 -175.6 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -108.7 -44.42 4.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.549 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -115.68 146.66 41.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.74 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -52.45 -45.93 66.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -44.7 -49.63 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.26 -47.81 84.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 81' ' ' LEU . 60.8 tp -58.46 -56.59 20.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.61 -61.11 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.0 t -39.25 -62.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -47.12 -65.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 55.2 mtp -41.98 -32.12 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 21.4 mt -79.94 -60.11 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.11 -49.58 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 p -79.47 12.31 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.09 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.35 37.24 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -82.28 -29.84 30.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.825 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.872 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.404 ' HB3' HD22 ' A' ' 35' ' ' LEU . 37.4 m-85 -111.34 137.31 49.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -129.37 138.84 51.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.0 t -79.76 140.28 36.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -63.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.491 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.9 m-20 -48.47 -69.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.7 p -96.99 178.16 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -100.68 41.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.45 109.9 22.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.01 156.35 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.533 ' CD2' ' HA ' ' A' ' 35' ' ' LEU . 67.1 m-85 -140.44 157.57 45.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.48 -47.58 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -113.06 151.9 30.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.59 -42.35 96.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -49.75 -24.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.507 ' O ' HG12 ' A' ' 37' ' ' VAL . 8.4 mm-40 -87.92 -34.87 17.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.533 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 25.4 tp -73.28 -56.08 5.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.6 p -45.81 -56.45 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 34' ' ' GLU . 7.7 p -46.83 -30.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -82.92 -38.17 23.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.8 mtm -60.69 -29.46 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -89.5 -54.18 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -44.22 -55.47 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.7 p -89.48 -43.89 10.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.97 -27.03 4.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 36.4 m170 -43.8 165.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.813 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 96' ' ' LEU . 7.5 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.894 0.378 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.423 ' C ' HD21 ' A' ' 96' ' ' LEU . 27.2 ttpp -133.7 158.9 42.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 87' ' ' GLY . 51.6 t -97.32 112.22 24.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 7.2 tpp -51.6 -39.63 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.448 ' CD1' ' CE1' ' A' ' 105' ' ' HIS . 3.1 t80 -50.75 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.996 0.427 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.59 ' SG ' ' CE1' ' A' ' 88' ' ' HIS . 2.7 p -83.83 -57.77 3.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 108.46 60.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.438 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.59 ' CE1' ' SG ' ' A' ' 86' ' ' CYS . 0.0 OUTLIER -131.15 97.11 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 93.9 p -70.23 126.92 31.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.411 ' CD2' HD22 ' A' ' 96' ' ' LEU . 70.0 m-85 -104.47 162.82 12.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -98.51 21.23 11.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -156.22 132.84 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.529 ' O ' HD23 ' A' ' 93' ' ' LEU . 2.1 tt -57.78 -32.93 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 98' ' ' VAL . 16.7 tp60 -66.8 -42.28 86.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -59.92 -38.64 82.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -77.17 -68.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 m -43.7 -38.48 3.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 94' ' ' GLN . 11.4 t -61.92 -67.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.516 ' CD2' ' HE1' ' A' ' 88' ' ' HIS . 13.2 t60 -44.72 -53.16 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.467 ' HG2' HD13 ' A' ' 96' ' ' LEU . 4.3 mmt -39.78 -42.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.7 mt -86.59 -61.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.419 ' HG3' HG13 ' A' ' 98' ' ' VAL . 7.1 mtpt -40.52 -33.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.3 p -107.8 -19.1 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.44 40.49 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.448 ' CE1' ' CD1' ' A' ' 85' ' ' TYR . 4.0 m170 -72.5 -52.1 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 61.5 m-85 -92.4 166.3 12.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.553 ' HG2' ' HB2' ' A' ' 28' ' ' ALA . 88.9 mtt180 -152.53 154.97 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -100.67 135.76 41.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.534 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 2.6 m-20 -44.79 -69.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.7 p -94.29 -177.65 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -109.32 43.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.27 111.67 24.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.553 ' HB2' ' HG2' ' A' ' 21' ' ' ARG . . . -99.97 160.67 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -141.96 155.41 45.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.81 -47.87 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 p -113.58 155.46 25.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 10.8 tp -63.0 -48.11 80.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -43.16 -37.27 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.81 -37.53 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.9 tp -73.72 -54.88 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.487 HG23 ' HG ' ' A' ' 32' ' ' LEU . 25.1 p -42.15 -67.3 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 38' ' ' HIS . 7.3 p -37.51 -43.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 37' ' ' VAL . 6.7 t60 -70.26 -47.2 62.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 31.7 mtm -50.26 -41.09 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -82.76 -43.45 16.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -50.64 -44.69 57.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.9 p -98.87 -47.65 5.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.05 -36.58 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 2.2 m-70 -38.4 156.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.973 -179.862 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -132.08 154.34 49.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 20.2 t -90.46 154.64 19.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.4 mtp -99.48 -33.87 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -62.09 -59.39 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 29.4 p -102.29 -50.1 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 102.84 68.72 0.8 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 22.8 t-80 -115.19 136.97 52.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.8 p -88.99 120.16 30.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.574 ' CD1' HD23 ' A' ' 96' ' ' LEU . 15.9 m-85 -111.75 177.22 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 92' ' ' SER . 11.6 pt-20 -110.69 -48.27 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -109.27 149.25 29.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.416 ' O ' HD23 ' A' ' 93' ' ' LEU . 2.1 tt -52.84 -45.86 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.861 ' O ' HG12 ' A' ' 98' ' ' VAL . 0.4 OUTLIER -44.64 -61.28 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.404 ' HA ' ' CG1' ' A' ' 98' ' ' VAL . 14.5 m-20 -44.75 -27.98 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.574 HD23 ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -80.82 -61.52 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 t -52.8 -31.97 41.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.1 p -82.06 -39.32 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -57.17 -58.37 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.8 mmt -50.26 -63.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 83.8 mt -48.02 -39.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -62.77 -47.68 82.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 104' ' ' LYS . 66.0 p -101.45 24.06 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 103' ' ' THR . 15.0 ttpt 33.11 50.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -84.9 -37.56 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.836 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.79 0.328 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 58.1 m-85 -108.43 165.86 11.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -150.38 150.51 31.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.39 138.59 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -77.18 -65.15 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -40.35 -67.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.3 p -103.59 -177.8 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -103.57 40.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.55 107.48 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.27 166.73 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -141.19 159.05 43.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.31 -43.12 21.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.3 p -113.03 145.41 40.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 65.4 tp -61.57 -53.14 60.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 34' ' ' GLU . 34.3 m -40.76 -39.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 33' ' ' VAL . 25.9 mm-40 -72.62 -42.19 64.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.28 -57.0 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 p -38.22 -58.88 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.475 HG12 ' OE1' ' A' ' 41' ' ' GLU . 55.3 t -43.5 -50.67 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.435 ' HA ' ' CD ' ' A' ' 41' ' ' GLU . 26.8 t60 -64.05 -34.92 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.4 mtm -63.21 -37.98 89.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -88.78 -56.12 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.61 ' CG ' HG23 ' A' ' 42' ' ' THR . 6.8 pt-20 -39.84 -39.94 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.61 HG23 ' CG ' ' A' ' 41' ' ' GLU . 33.3 p -102.83 -36.49 8.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.23 -21.87 9.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.424 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 43.1 m170 -47.25 164.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.823 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.59 HD13 ' HA ' ' A' ' 93' ' ' LEU . 15.4 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.881 0.372 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.509 ' HD3' ' N ' ' A' ' 89' ' ' SER . 3.5 tppp? -143.87 146.35 32.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' GLY . 41.9 t -91.67 107.3 19.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 15.2 ttm -51.86 -46.21 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.421 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 7.4 t80 -40.66 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.3 p -91.86 -51.87 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 115.92 54.24 0.36 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.498 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 90' ' ' PHE . 13.0 m-70 -108.4 119.07 38.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.509 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 69.7 p -91.53 107.64 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.621 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 68.5 m-85 -104.22 133.24 49.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.02 -42.58 97.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.7 m -98.06 140.51 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.59 ' HA ' HD13 ' A' ' 81' ' ' LEU . 39.7 tp -56.41 -45.96 80.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.765 ' O ' HG12 ' A' ' 98' ' ' VAL . 70.4 tp60 -48.53 -44.21 36.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.621 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.8 m-20 -59.83 -49.45 77.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -59.11 -49.52 77.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 100' ' ' MET . 21.0 t -67.1 -69.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.765 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.2 p -37.52 -30.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' SER . 2.2 t60 -66.33 -46.19 77.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' SER . 6.0 mtt -67.41 -22.45 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 12.0 mm -77.06 -30.95 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -89.4 -56.29 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.6 p -70.37 -14.36 62.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 55.85 54.23 8.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -91.11 -45.32 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE2' HD13 ' A' ' 32' ' ' LEU . 87.5 m-85 -107.64 149.23 28.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -141.23 117.31 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 44' ' ' HIS . 24.8 t -63.37 125.42 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -86.34 25.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 -56.61 1.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.6 p -106.03 177.49 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.2 t -91.5 41.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.53 149.71 42.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.08 139.84 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -116.95 168.46 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -95.47 -43.55 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.793 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.0 p -101.13 156.57 17.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.597 HD13 ' CE2' ' A' ' 20' ' ' PHE . 39.5 tp -74.98 -41.38 59.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.444 HG13 ' OE2' ' A' ' 34' ' ' GLU . 2.8 p -53.43 -41.78 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' OE2' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -69.55 -34.21 73.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 20' ' ' PHE . 20.7 tp -70.64 -61.97 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' VAL . 45.3 p -38.81 -68.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 36' ' ' THR . 7.4 p -35.54 -40.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.412 ' N ' HG13 ' A' ' 37' ' ' VAL . 6.4 t60 -74.47 -48.07 29.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' GLY . 41.4 mtm -56.65 -45.49 81.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -68.35 -51.46 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -54.77 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.6 p -71.46 -32.81 68.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.173 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 98.42 27.57 8.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 22' ' ' CYS . 62.4 m170 -91.87 -178.94 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.334 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.843 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 150.15 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 87' ' ' GLY . 34.7 t -100.92 103.34 14.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -54.64 -48.33 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.609 ' CE1' ' CE1' ' A' ' 105' ' ' HIS . 4.0 t80 -34.26 -67.93 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 28.0 p -101.37 -49.28 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 111.88 73.29 0.67 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.446 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -131.49 150.14 52.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.1 p -100.88 155.46 17.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.636 ' CD1' HD23 ' A' ' 96' ' ' LEU . 63.8 m-85 -150.16 172.22 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -96.62 -57.98 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -110.92 171.59 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' LEU . 16.8 mt -65.96 -53.06 43.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 98' ' ' VAL . 40.4 tp60 -36.94 -51.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.89 -41.48 78.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.636 HD23 ' CD1' ' A' ' 90' ' ' PHE . 2.7 tm? -68.13 -54.56 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.5 m -51.94 -52.3 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 94' ' ' GLN . 80.9 t -53.45 -58.95 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -46.74 -52.01 14.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.47 ' HG3' HD13 ' A' ' 96' ' ' LEU . 5.2 mmm -56.78 -71.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.0 mt -44.05 -37.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -70.31 -35.24 73.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 78.6 p -105.53 15.99 26.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' MET . 87.1 mttt 42.25 42.77 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.609 ' CE1' ' CE1' ' A' ' 85' ' ' TYR . 1.7 m-70 -85.92 -30.49 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mptt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.831 0.348 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -109.73 155.22 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -141.29 132.43 26.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.8 t -85.64 74.99 10.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 24' ' ' ASP . 10.9 tptm -31.98 -62.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 23' ' ' LYS . 2.7 m-20 -30.09 -60.71 0.17 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' CYS . 29.1 p -106.17 -173.69 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 m -100.48 39.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.2 158.7 24.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.1 159.87 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.422 ' CD2' ' HA ' ' A' ' 35' ' ' LEU . 98.7 m-85 -138.96 166.92 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.21 -39.18 18.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.6 p -114.31 151.88 32.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.601 ' O ' HG22 ' A' ' 36' ' ' THR . 37.4 tp -64.95 -50.02 68.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.2 m -49.73 -29.99 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -81.75 -22.97 36.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 28.6 tp -86.84 -57.24 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 37' ' ' VAL . 1.3 t -44.12 -59.29 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.652 ' H ' HG23 ' A' ' 36' ' ' THR . 11.8 p -39.2 -28.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' THR . 10.3 t60 -91.55 -37.9 12.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' THR . 51.7 mtm -68.89 -51.44 40.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -60.82 -38.51 85.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.94 -68.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.7 p -63.54 -48.04 79.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.192 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.57 -23.81 2.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -51.0 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.711 HD13 ' HA ' ' A' ' 93' ' ' LEU . 9.1 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.913 0.387 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.425 ' HG3' ' C ' ' A' ' 88' ' ' HIS . 18.8 ttpt -84.82 167.58 15.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 85' ' ' TYR . 44.8 t -111.66 127.04 55.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.4 ttp -66.27 -28.73 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.437 ' CB ' ' HB3' ' A' ' 105' ' ' HIS . 22.0 t80 -63.7 -72.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.643 ' SG ' ' CE1' ' A' ' 88' ' ' HIS . 3.1 p -82.7 -59.48 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.45 68.25 0.57 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.451 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.643 ' CE1' ' SG ' ' A' ' 86' ' ' CYS . 0.0 OUTLIER -135.39 107.02 6.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.0 p -63.36 123.79 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CE2' ' CE1' ' A' ' 88' ' ' HIS . 35.5 m-85 -108.2 -173.68 2.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -132.1 -31.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.2 m -103.41 123.96 47.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.711 ' HA ' HD13 ' A' ' 81' ' ' LEU . 12.3 tp -51.01 -33.95 27.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.686 ' O ' HG23 ' A' ' 98' ' ' VAL . 9.7 tp60 -62.66 -44.91 95.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.13 -33.97 67.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.577 HD13 ' C ' ' A' ' 96' ' ' LEU . 3.0 tm? -86.29 -65.13 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.477 ' O ' HD13 ' A' ' 101' ' ' ILE . 28.5 t -43.91 -28.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 94' ' ' GLN . 97.1 t -85.62 -64.87 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.1 t60 -37.09 -52.14 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 104' ' ' LYS . 30.5 mmm -43.56 -54.19 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 97' ' ' SER . 2.4 mp -71.74 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -38.38 -42.38 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.1 p -99.09 -18.61 17.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.3 OUTLIER 63.83 38.28 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 85' ' ' TYR . 11.6 m170 -65.79 -47.86 73.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.1 p90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -179.842 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 30.0 m-85 -102.9 167.72 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -148.41 151.24 34.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -102.65 130.64 49.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -65.03 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.452 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . 13.5 t0 -43.52 -69.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.8 164.56 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 t -95.04 40.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.61 121.01 44.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.27 163.73 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -138.59 159.39 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -82.75 -45.25 14.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -109.02 150.36 27.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 34.9 tp -66.92 -50.81 61.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.8 m -46.95 -28.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.92 -35.55 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 tp -75.94 -49.93 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' MET . 33.3 p -46.4 -65.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.582 HG22 ' OE2' ' A' ' 41' ' ' GLU . 13.1 p -41.17 -31.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -83.27 -36.7 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' THR . 34.1 mtm -62.8 -44.79 95.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -74.3 -39.51 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.582 ' OE2' HG22 ' A' ' 37' ' ' VAL . 19.6 mt-10 -56.84 -61.41 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.9 p -81.52 -38.8 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.76 23.64 5.55 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.543 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 41.4 m170 -88.41 -174.28 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 21.9 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.6 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.943 0.401 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -92.37 159.55 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.431 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 11.8 t -93.63 143.83 25.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.7 ttp -83.48 -34.41 25.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.639 ' CD2' ' CE1' ' A' ' 105' ' ' HIS . 35.2 t80 -68.88 -75.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.96 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.509 ' N ' ' CD2' ' A' ' 85' ' ' TYR . 29.8 p -90.65 -47.71 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 98.97 91.42 2.01 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.41 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 0.8 OUTLIER -131.08 104.98 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.1 p -62.44 142.1 58.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.5 ' CD1' ' CG ' ' A' ' 95' ' ' ASP . 78.4 m-85 -136.04 -178.76 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.37 -45.86 3.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.7 p -113.29 143.82 43.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.612 ' HA ' HD13 ' A' ' 81' ' ' LEU . 13.7 tp -50.37 -44.28 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' LEU . 48.2 tp60 -36.16 -55.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.5 ' CG ' ' CD1' ' A' ' 90' ' ' PHE . 4.7 t0 -50.42 -62.51 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.1 tm? -47.16 -60.04 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.8 t -48.42 -31.25 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 99' ' ' HIS . 6.8 t -82.89 -68.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.453 ' N ' HG12 ' A' ' 98' ' ' VAL . 9.6 t60 -33.75 -45.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.425 ' HG2' HD13 ' A' ' 96' ' ' LEU . 16.5 mmm -54.6 -64.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 76.1 mt -54.96 -45.22 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -51.03 -53.86 29.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 104' ' ' LYS . 37.9 p -98.08 21.41 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 104' ' ' LYS . 6.6 pttt 33.04 45.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.639 ' CE1' ' CD2' ' A' ' 85' ' ' TYR . 35.6 m170 -78.6 -25.91 45.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.891 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.631 ' HB3' HD22 ' A' ' 35' ' ' LEU . 25.4 m-85 -111.04 164.91 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -156.14 134.34 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 23' ' ' LYS . 13.9 t -93.58 78.82 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 22' ' ' CYS . 9.1 tttt -33.93 -54.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.2 m-20 -34.2 -61.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.55 -177.77 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -96.02 39.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.66 148.95 43.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.61 170.26 16.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -147.81 168.76 21.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.898 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.86 -39.91 8.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.7 p -104.05 147.8 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 20' ' ' PHE . 48.3 tp -67.88 -46.43 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' CD ' ' A' ' 34' ' ' GLU . 4.4 p -49.32 -38.85 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.531 ' CD ' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -70.36 -47.21 61.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.631 HD22 ' HB3' ' A' ' 20' ' ' PHE . 28.1 tp -60.15 -55.64 31.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -40.78 -61.43 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 33' ' ' VAL . 70.2 t -39.2 -51.21 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -64.81 -49.81 69.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' GLY . 17.3 mtm -47.3 -45.66 24.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -80.22 -59.91 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -38.15 -41.41 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.3 p -100.01 -40.76 7.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 39' ' ' MET . . . 127.37 -32.52 3.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.593 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -43.97 167.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.824 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.865 0.365 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -125.67 149.48 48.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 15.1 t -74.93 151.77 38.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.7 mtt -92.2 -35.13 14.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -68.12 -70.0 0.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 87' ' ' GLY . 28.7 p -93.78 -47.91 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 86' ' ' CYS . . . 97.94 87.05 1.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 15.6 t-80 -126.28 119.09 26.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.7 p -68.56 118.4 11.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 88' ' ' HIS . 96.7 m-85 -112.52 172.94 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -103.25 -48.46 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.2 m -112.55 165.62 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -63.89 -54.08 40.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -39.69 -42.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -59.84 -48.06 83.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.616 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.1 tm? -62.85 -56.28 18.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.4 p -51.23 -61.85 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 99' ' ' HIS . 31.7 t -46.61 -69.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.468 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.0 t60 -32.82 -47.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.0 mmm -64.81 -71.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.8 mt -42.99 -32.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -77.38 -46.49 22.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 104' ' ' LYS . 61.3 p -94.76 16.85 14.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 100' ' ' MET . 39.2 mtpt 34.04 49.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -84.85 -34.94 22.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mptt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.448 ' HB3' HD22 ' A' ' 35' ' ' LEU . 58.3 m-85 -108.23 131.19 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -125.06 124.13 41.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 23' ' ' LYS . 36.4 t -75.96 80.75 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 22' ' ' CYS . 13.6 tptm -33.49 -53.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' LYS . 8.5 t0 -35.32 -68.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' CYS . 27.5 p -102.2 -176.56 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -94.19 36.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -115.91 163.86 15.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 20' ' ' PHE . . . -155.27 158.51 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -134.11 154.94 50.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -46.33 36.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.6 p -108.34 147.81 30.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -67.41 -44.29 79.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -48.79 -25.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -89.94 -40.29 12.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 20' ' ' PHE . 11.3 tp -63.74 -46.84 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 45.8 p -44.2 -62.38 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 71.0 t -36.27 -54.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -62.18 -49.37 76.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 43' ' ' GLY . 29.4 mtm -51.06 -52.94 38.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.94 -51.82 43.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -51.1 -63.83 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.2 p -73.64 -28.56 61.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 95.43 27.87 10.26 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' MET . 17.0 m170 -94.07 -176.63 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.409 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 23.6 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.448 ' CE ' ' HB3' ' A' ' 89' ' ' SER . 7.3 ttmt -137.82 149.41 46.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 87' ' ' GLY . 42.5 t -100.64 110.05 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -45.75 86.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.405 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 10.2 t80 -37.88 -59.3 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.5 p -106.39 -52.21 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 110.2 50.14 0.68 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -107.89 121.26 44.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.448 ' HB3' ' CE ' ' A' ' 82' ' ' LYS . 88.8 p -78.42 147.88 33.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 92.8 m-85 -139.18 -175.06 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -114.49 -52.95 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.4 p -113.62 159.49 19.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -51.69 -52.49 47.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.528 ' O ' HG12 ' A' ' 98' ' ' VAL . 39.1 tp60 -36.38 -62.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.578 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 4.2 m-20 -45.06 -46.59 11.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 96' ' ' LEU . 2.7 tm? -64.6 -55.15 22.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 99' ' ' HIS . 40.9 m -55.92 -65.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 94' ' ' GLN . 11.0 p -42.39 -24.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' SER . 3.6 t60 -84.29 -54.19 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 mmt -51.81 -40.07 59.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.425 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 19.7 mt -68.93 -57.0 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -55.59 -57.25 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.5 p -71.94 -21.89 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER 61.69 52.94 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -92.45 -47.42 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.8 p90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.838 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mptt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.772 0.32 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 60.4 m-85 -107.01 142.7 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -136.02 134.73 38.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LYS . 8.0 t -94.61 80.07 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.7 tttp -34.25 -56.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.0 m-20 -34.04 -59.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.0 p -105.78 -177.37 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 p -100.77 41.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.87 172.0 7.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.08 167.52 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -146.97 169.78 18.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -93.68 -42.65 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.2 p -109.98 153.98 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 15.8 tp -73.24 -45.88 53.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -49.8 -22.24 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -89.18 -44.32 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.65 -50.85 69.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' VAL . 21.0 p -42.23 -65.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 53.2 t -37.3 -50.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -66.2 -44.4 84.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.9 mtm -51.85 -49.13 63.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -76.9 -50.24 13.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -43.97 -50.76 8.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.1 p -88.34 -46.16 9.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.91 -36.56 1.67 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.425 ' HB3' ' CG ' ' A' ' 24' ' ' ASP . 2.1 m-70 -45.04 165.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.867 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.867 HD13 ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 88' ' ' HIS . 18.4 tttt -146.36 120.21 9.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.401 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 46.2 t -55.97 144.75 27.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.5 ttm -93.02 -25.84 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 4.2 t80 -64.22 -57.07 10.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.1 p -98.11 -51.62 3.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 108.09 50.66 0.76 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.432 ' C ' ' HG3' ' A' ' 82' ' ' LYS . 9.6 m170 -111.84 135.24 52.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.812 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.8 t -85.66 139.63 31.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.553 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 73.4 m-85 -119.53 142.51 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.83 -32.03 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.5 p -116.72 149.59 39.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.6 -40.74 96.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.563 ' O ' HG23 ' A' ' 98' ' ' VAL . 0.7 OUTLIER -57.43 -30.34 64.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.553 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 2.3 m-20 -67.61 -45.33 75.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 2.2 tm? -52.33 -56.99 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.4 t -64.82 -51.64 61.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 94' ' ' GLN . 18.3 t -48.51 -39.82 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -71.69 -45.61 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 104' ' ' LYS . 8.2 mtt -50.87 -43.97 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 60.4 mt -79.47 -50.38 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -49.31 -28.67 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.536 ' HB ' ' CD2' ' A' ' 105' ' ' HIS . 46.5 p -117.81 -6.48 11.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 100' ' ' MET . 6.5 mtpm? 56.22 40.54 29.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.536 ' CD2' ' HB ' ' A' ' 103' ' ' THR . 13.6 m170 -74.23 -41.22 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.5 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.886 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.822 0.344 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 46.0 m-85 -101.57 144.68 30.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.472 ' HG2' ' HB2' ' A' ' 28' ' ' ALA . 25.6 mtp180 -124.25 179.11 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.0 t -121.55 93.47 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -38.09 -26.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' CYS . 2.4 m-20 -79.29 -75.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' CYS . 31.4 p -93.3 157.8 16.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -81.45 39.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.22 120.11 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 21' ' ' ARG . . . -105.66 166.39 10.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -139.43 155.74 47.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -42.55 67.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.0 p -117.83 145.78 44.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 17.9 tp -67.54 -48.26 67.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -44.95 -34.22 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -79.48 -42.5 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.09 -52.5 62.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 37' ' ' VAL . 33.2 p -40.03 -60.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' THR . 91.9 t -37.41 -49.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -65.95 -55.34 17.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 44' ' ' HIS . 22.7 mtm -45.31 -48.72 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -73.92 -54.26 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -45.65 -59.27 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.6 p -73.55 -50.83 19.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.45 -29.51 1.89 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 39' ' ' MET . 27.3 m170 -50.22 165.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.85 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 92' ' ' SER . 20.6 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.901 0.381 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.404 ' CE ' ' HB3' ' A' ' 89' ' ' SER . 11.4 ttmt -145.29 121.42 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -58.82 150.67 23.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 26.4 tpp -98.85 -31.79 11.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.511 ' CD1' ' CE1' ' A' ' 105' ' ' HIS . 3.2 t80 -54.73 -58.18 8.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 23.3 p -104.57 -50.4 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.7 64.54 0.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -120.84 141.15 50.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.404 ' HB3' ' CE ' ' A' ' 82' ' ' LYS . 52.8 p -81.12 151.78 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.563 ' CE1' HD22 ' A' ' 96' ' ' LEU . 77.8 m-85 -136.15 -177.58 4.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -107.0 -54.96 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.499 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 19.3 p -135.03 170.53 15.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.662 ' H ' HD22 ' A' ' 93' ' ' LEU . 2.8 mm? -47.47 -51.83 19.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.66 -58.44 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.02 -44.33 64.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.578 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.5 tm? -63.46 -65.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 98' ' ' VAL . 18.3 t -38.42 -65.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 102' ' ' LYS . 53.4 t -34.95 -71.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' VAL . 11.6 t60 -37.62 -59.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' LYS . 4.4 mmt -48.75 -36.71 17.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' VAL . 23.1 mt -78.03 -62.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 98' ' ' VAL . 37.7 mttp -48.38 -30.9 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.463 ' OG1' ' CD2' ' A' ' 105' ' ' HIS . 34.1 p -105.66 -16.36 14.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER 61.67 49.27 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.511 ' CE1' ' CD1' ' A' ' 85' ' ' TYR . 20.9 m170 -86.88 -24.43 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 -179.871 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 24.9 m-85 -88.75 174.6 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -153.94 156.09 36.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 t -108.01 128.54 54.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 0.6 OUTLIER -69.57 -61.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.527 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.8 m-20 -44.84 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.802 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.6 p -92.52 161.52 14.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -92.89 40.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.53 121.11 42.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.67 168.1 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -139.29 168.94 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -93.15 -42.19 9.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.1 p -113.6 146.63 39.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.211 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 50.8 tp -62.46 -52.03 65.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.8 p -45.34 -32.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -79.34 -33.65 42.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.34 -54.78 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 39' ' ' MET . 44.2 p -44.15 -65.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -39.27 -35.78 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -80.58 -39.11 28.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' THR . 33.1 mtm -60.23 -37.7 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -84.02 -45.84 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -54.25 -43.85 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.8 p -91.23 -46.1 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.16 -28.46 3.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 12.1 m170 -47.13 160.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.832 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.687 HD13 ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.899 0.381 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -145.98 125.43 13.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.28 155.73 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.3 mtm -97.97 -29.4 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.613 ' CD2' ' CD2' ' A' ' 105' ' ' HIS . 84.0 t80 -76.1 -72.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 105' ' ' HIS . 30.6 p -79.34 -42.63 25.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.02 79.64 1.17 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.91 136.08 35.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.5 p -82.49 131.81 35.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 93.3 m-85 -113.12 145.27 41.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.41 -44.2 79.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.6 p -116.51 163.49 15.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.777 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -72.24 -45.13 61.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -48.14 -44.14 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.401 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.7 m-20 -55.91 -45.0 78.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 96' ' ' LEU . 3.3 tm? -55.41 -50.27 70.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 71.0 m -59.86 -66.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.5 p -50.04 -28.45 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.53 -54.91 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.7 mmt -49.67 -64.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.56 ' H ' HD12 ' A' ' 101' ' ' ILE . 4.0 mp -48.68 -41.25 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -63.45 -39.62 94.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 104' ' ' LYS . 47.7 p -106.7 19.72 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 100' ' ' MET . 16.0 mttp 34.27 42.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.613 ' CD2' ' CD2' ' A' ' 85' ' ' TYR . 38.4 m170 -80.79 -37.66 29.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.85 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.544 ' HB3' HD22 ' A' ' 35' ' ' LEU . 75.3 m-85 -102.15 155.01 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -142.97 141.17 31.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 t -79.23 130.49 35.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.78 24.07 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.483 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . 7.0 t70 -126.44 -53.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.3 p -111.56 -178.85 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -91.33 36.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.86 152.13 35.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.148 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.73 170.56 15.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -148.14 172.6 14.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -98.07 -42.09 7.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -107.37 134.06 50.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 36' ' ' THR . 0.1 OUTLIER -53.55 -56.0 20.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.954 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -41.35 -24.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.1 mt-10 -91.01 -32.39 15.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 20' ' ' PHE . 59.0 tp -76.66 -48.92 17.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.746 HG23 ' H ' ' A' ' 37' ' ' VAL . 1.2 t -49.77 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.746 ' H ' HG23 ' A' ' 36' ' ' THR . 14.4 p -37.25 -31.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' THR . 7.0 t60 -87.28 -40.14 14.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 36' ' ' THR . 67.4 mtm -66.76 -52.35 45.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.56 -27.9 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 27.6 mm-40 -77.41 -71.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.0 p -66.14 -3.95 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.77 -18.03 46.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.483 ' CG ' ' HB3' ' A' ' 24' ' ' ASP . 32.9 m170 -54.04 -178.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.443 ' C ' ' SD ' ' A' ' 39' ' ' MET . 1.5 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 89' ' ' SER . 3.9 tppp? -130.11 137.96 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.564 ' O ' ' N ' ' A' ' 87' ' ' GLY . 22.6 t -90.81 103.14 15.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.798 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' TYR . 28.6 mmm -47.11 -48.66 22.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.425 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 19.8 t80 -37.16 -66.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 18.7 p -101.24 -51.97 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 109.69 61.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.471 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 9.0 m170 -118.26 105.5 11.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 88.1 p -63.4 146.95 52.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.588 ' CD2' HD23 ' A' ' 96' ' ' LEU . 97.7 m-85 -131.58 -179.14 5.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 9.5 pm0 -118.28 -37.75 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.77 148.32 42.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.771 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.14 -47.81 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.725 ' O ' HG12 ' A' ' 98' ' ' VAL . 2.9 tt0 -45.16 -66.15 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.54 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.2 m-20 -36.94 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.588 HD23 ' CD2' ' A' ' 90' ' ' PHE . 2.4 tm? -87.49 -57.72 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.592 ' O ' HD13 ' A' ' 101' ' ' ILE . 23.1 t -52.36 -18.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.2 p -95.93 -47.9 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.557 ' HA ' ' CG ' ' A' ' 102' ' ' LYS . 7.8 t60 -47.27 -50.52 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.795 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.7 mmt -51.48 -43.04 62.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.592 HD13 ' O ' ' A' ' 97' ' ' SER . 1.8 mp -73.19 -65.9 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.64 ' HG3' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -44.66 -33.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.823 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.64 HG23 ' HG3' ' A' ' 102' ' ' LYS . 4.1 p -105.21 -6.51 19.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER 48.1 52.41 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -89.56 -52.24 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.427 ' CD1' ' HB3' ' A' ' 100' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.979 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 mptt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 23.3 m-85 -113.52 154.26 27.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -148.06 122.53 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' LYS . 4.0 t -73.37 77.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' CYS . 8.6 tttm -35.91 -51.36 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -39.18 -70.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 32.0 p -90.95 177.92 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.3 p -93.44 39.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.67 160.07 30.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.93 169.04 18.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -145.84 154.91 42.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.38 -42.21 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.2 p -106.28 146.08 30.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 63.0 tp -66.47 -49.2 67.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.76 -18.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.52 -30.42 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 tp -78.69 -53.35 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.0 p -42.05 -66.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.575 HG22 ' OE2' ' A' ' 41' ' ' GLU . 7.6 p -37.41 -37.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -78.15 -45.61 22.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' A' ' 45' ' ' TYR . 54.9 mtm -58.08 -43.95 87.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -76.05 -28.7 57.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.575 ' OE2' HG22 ' A' ' 37' ' ' VAL . 25.6 mt-10 -69.9 -45.24 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.797 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.9 p -93.19 -30.29 15.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.149 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.12 -21.17 8.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.407 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 15.8 m170 -52.14 179.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.462 ' C ' ' SD ' ' A' ' 39' ' ' MET . 10.1 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.823 0.344 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 89' ' ' SER . 1.3 ptmm? -129.62 130.89 46.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.499 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 2.6 t -55.31 147.32 17.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 14.9 ttm -85.65 -35.1 21.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.416 ' HB3' ' ND1' ' A' ' 105' ' ' HIS . 10.5 t80 -53.88 -63.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.4 p -94.54 -57.15 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.499 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 112.94 43.96 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.471 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 6.8 m170 -96.95 102.88 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.838 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 82' ' ' LYS . 4.7 t -60.91 136.58 58.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 88' ' ' HIS . 83.7 m-85 -125.22 168.53 13.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -92.78 -53.25 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.1 p -107.69 164.07 12.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 93' ' ' LEU . 0.5 OUTLIER -62.1 -42.72 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.489 ' O ' HG12 ' A' ' 98' ' ' VAL . 53.3 tp60 -47.8 -59.56 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.4 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.4 m-20 -45.33 -35.86 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -73.4 -49.08 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' HD12 ' A' ' 101' ' ' ILE . 1.8 t -60.72 -66.18 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 94' ' ' GLN . 13.8 p -42.0 -27.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -75.29 -50.45 16.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.518 ' HB3' ' CD1' ' A' ' 106' ' ' TYR . 5.2 mtt -47.03 -35.78 7.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.419 HD12 ' O ' ' A' ' 97' ' ' SER . 5.3 mp -87.11 -50.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -52.73 -25.32 10.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 66.7 p -116.49 -18.06 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.21 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.46 41.32 12.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' HIS . . . . . 0.416 ' ND1' ' HB3' ' A' ' 85' ' ' TYR . 31.3 m170 -76.87 -52.9 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.852 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' TYR . . . . . 0.518 ' CD1' ' HB3' ' A' ' 100' ' ' MET . 2.9 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 24.4 m-85 -110.78 154.84 23.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 20' ' ' PHE . 25.7 mtm180 -146.42 128.68 15.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' LYS . 13.2 t -85.26 84.64 7.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 22' ' ' CYS . 22.2 tptt -34.11 -55.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' LYS . 14.8 t0 -35.98 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' CYS . 26.4 p -90.26 179.39 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -96.98 37.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.65 165.05 12.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.3 161.79 39.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.049 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -141.36 149.49 41.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.74 -41.78 59.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.2 p -111.34 156.29 21.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 62.7 tp -71.83 -46.68 57.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -49.96 -32.63 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -76.51 -31.46 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 tp -78.1 -49.04 14.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' MET . 32.8 p -43.54 -66.12 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 38' ' ' HIS . 8.9 p -37.44 -41.47 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' N ' HG13 ' A' ' 37' ' ' VAL . 24.8 t60 -72.62 -42.3 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' GLY . 24.6 mtm -59.58 -49.08 79.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -65.15 -49.43 69.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.99 -66.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.7 p -72.2 -48.75 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 116.02 30.53 2.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.512 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 21.8 m170 -93.83 -174.5 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.828 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 18.2 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 87' ' ' GLY . 17.0 mttm -127.63 171.28 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 87' ' ' GLY . 7.7 t -114.2 112.25 22.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.2 mtm -49.43 -49.09 46.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.476 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 2.0 t80 -40.67 -70.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.7 p -99.93 -53.17 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 108.56 74.07 0.82 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -126.93 116.81 21.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.3 p -74.36 135.0 42.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 96.2 m-85 -123.99 153.66 40.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -79.58 -45.78 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.2 m -114.0 162.97 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -53.65 31.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.586 ' O ' HG23 ' A' ' 98' ' ' VAL . 52.2 tp60 -38.64 -38.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 16.6 m-20 -63.23 -48.31 78.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.696 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.7 tm? -63.17 -55.13 27.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.407 ' O ' HD12 ' A' ' 101' ' ' ILE . 57.0 m -48.53 -58.98 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 94' ' ' GLN . 86.6 t -49.29 -66.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.8 t60 -33.68 -53.32 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 104' ' ' LYS . 5.5 mtp -44.55 -53.63 6.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.407 HD12 ' O ' ' A' ' 97' ' ' SER . 4.7 mp -70.43 -42.97 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -51.11 -30.33 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.3 p -123.54 4.91 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 100' ' ' MET . 27.6 mttp 50.0 39.78 19.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -72.57 -32.0 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.1 p90 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.828 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.82 0.343 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 52.8 m-85 -132.51 176.32 8.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -151.41 173.76 14.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 25' ' ' CYS . 2.6 t -116.69 125.33 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 10.7 pttt -58.34 -40.13 81.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.2 m-20 -72.39 -76.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' CYS . 27.7 p -82.84 159.97 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -88.97 40.31 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.44 177.32 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.64 161.39 39.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -139.9 171.04 14.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -92.86 -42.41 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.0 p -116.49 132.12 56.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.734 HD11 HG23 ' A' ' 36' ' ' THR . 0.2 OUTLIER -51.07 -62.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' LEU . 32.6 m -33.41 -37.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' LEU . 90.5 mt-10 -75.27 -50.48 15.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' LEU . 17.9 tp -52.58 -56.81 12.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.734 HG23 HD11 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -40.13 -54.46 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.0 t -41.16 -60.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -53.7 -44.4 69.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 29.2 mtm -58.6 -46.63 86.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -58.75 3.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -47.17 -63.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.9 p -66.73 -52.16 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.43 -20.55 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.419 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.499 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 17.6 m170 -55.29 -175.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.836 0.35 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 89' ' ' SER . 3.0 tptt -137.29 132.84 34.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.45 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 13.7 t -55.19 129.1 36.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.8 mtm -74.57 7.37 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -123.93 -58.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 87' ' ' GLY . 15.6 p -108.75 17.72 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 86' ' ' CYS . . . 32.07 68.94 0.13 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.49 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.514 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 2.6 t-160 -106.72 120.91 43.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.477 ' N ' ' HE3' ' A' ' 82' ' ' LYS . 25.2 p -61.7 144.97 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.656 ' CD2' HD23 ' A' ' 96' ' ' LEU . 90.9 m-85 -137.3 171.97 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -98.82 -47.04 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m -130.58 166.23 21.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.808 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -57.48 -59.16 5.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -37.77 -47.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -56.73 -39.7 74.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.756 HD13 ' C ' ' A' ' 96' ' ' LEU . 2.2 tm? -71.8 -51.83 20.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.2 t -54.84 -38.0 66.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.501 HG12 ' HG3' ' A' ' 102' ' ' LYS . 23.7 t -71.98 -65.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.483 ' C ' ' O ' ' A' ' 98' ' ' VAL . 18.4 t60 -31.71 -57.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 104' ' ' LYS . 17.6 mmm -43.56 -64.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.2 mt -58.26 -40.86 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.501 ' HG3' HG12 ' A' ' 98' ' ' VAL . 20.0 mmtt -57.58 -34.86 69.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.6 p -111.94 9.62 20.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 100' ' ' MET . 30.9 mttt 48.95 43.67 21.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -83.79 -27.0 29.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 12.2 p90 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -179.875 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.581 ' HB3' HD22 ' A' ' 35' ' ' LEU . 60.3 m-85 -103.1 140.57 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -136.52 119.27 16.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' LYS . 8.3 t -77.27 81.46 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' ASP . 7.1 ttpp -36.85 -54.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.2 m-20 -34.38 -61.93 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 28.8 p -101.69 -175.71 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -100.8 39.81 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.25 173.53 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.25 167.75 29.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -147.61 159.2 44.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.6 -46.28 9.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -109.99 142.65 41.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 18.0 tp -58.13 -46.65 85.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -47.02 -20.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -91.2 -46.5 8.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 20' ' ' PHE . 15.8 tp -63.73 -51.38 65.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.493 HG23 ' HG ' ' A' ' 32' ' ' LEU . 14.9 p -42.59 -63.48 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.1 t -43.06 -43.9 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -67.59 -41.99 83.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 43' ' ' GLY . 51.7 mtm -54.86 -45.39 74.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -79.98 -45.31 18.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.54 -37.67 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.9 p -102.1 -42.74 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.226 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 131.73 -36.06 2.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 8.8 m170 -43.78 167.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.8 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -134.15 139.79 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' GLY . 16.6 t -90.73 107.49 19.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.6 ttp -53.51 -44.18 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' TYR . . . . . 0.4 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 17.2 t80 -41.54 -70.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 26.6 p -93.5 -48.97 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 105.15 58.74 0.66 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -120.89 117.42 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.2 p -72.81 132.65 43.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 94.1 m-85 -114.84 -175.55 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.72 -43.18 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.6 m -115.4 154.11 29.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -59.28 -55.3 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.564 ' O ' HG23 ' A' ' 98' ' ' VAL . 35.9 tp60 -36.01 -48.33 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.508 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.6 OUTLIER -57.51 -53.52 57.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.54 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.8 tm? -59.11 -50.44 74.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.2 m -54.26 -52.52 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 94' ' ' GLN . 98.1 t -62.85 -69.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.6 t60 -33.25 -40.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.0 mmt -58.32 -68.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 101' ' ' ILE . 3.7 mp -56.55 -40.26 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -53.75 -38.45 64.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 78.7 p -114.69 11.6 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 100' ' ' MET . 2.6 mppt? 47.72 36.65 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -74.33 -19.82 60.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -170.35 108.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 p -171.41 151.88 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.43 176.54 43.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -149.87 154.17 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 p -169.31 174.39 6.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.98 82.95 0.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -116.6 87.76 2.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.33 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 tp -131.36 149.45 52.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -120.87 171.87 8.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.69 64.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -127.97 36.88 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.913 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.7 pp -62.03 137.31 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -106.78 127.27 53.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 47.0 p -133.5 107.49 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.42 133.21 3.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.78 163.39 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.0 p -139.94 130.91 26.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -68.69 -65.22 0.73 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.454 ' HB3' HD22 ' A' ' 35' ' ' LEU . 36.5 m-85 -107.07 161.12 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' N ' ' HD3' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -145.62 151.24 37.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 51.6 t -97.52 136.81 37.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -71.0 -61.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.506 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.4 m-20 -43.95 -73.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.13 178.05 5.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.0 m -102.25 40.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.81 109.51 21.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.057 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.64 156.32 16.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -134.25 172.62 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -102.18 -42.57 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.407 ' HB ' HG12 ' A' ' 33' ' ' VAL . 71.4 p -108.18 136.44 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 56.9 tp -57.58 -41.09 80.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 37' ' ' VAL . 6.2 p -53.85 -25.71 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -84.96 -41.04 16.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.454 HD22 ' HB3' ' A' ' 20' ' ' PHE . 17.8 tp -63.79 -57.43 9.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.9 p -42.16 -50.68 4.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG12 ' OE1' ' A' ' 41' ' ' GLU . 54.8 t -48.21 -43.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -71.9 -41.85 67.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 8.4 mtm -54.64 -35.91 63.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -90.94 -47.85 7.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' OE1' HG12 ' A' ' 37' ' ' VAL . 27.9 mt-10 -49.0 -55.11 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.3 p -88.92 -40.5 13.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.61 -29.18 4.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.506 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 14.1 m170 -47.37 174.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 0.0 110.805 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -147.22 167.33 24.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' N ' ' SD ' ' A' ' 39' ' ' MET . 9.8 ptt180 -58.69 176.13 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -114.17 -35.67 4.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -34.63 147.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -38.91 148.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -121.49 131.96 54.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -106.06 68.72 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 52' ' ' THR . 9.8 m -105.29 32.37 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -151.63 138.59 19.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -116.44 -43.78 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.407 ' O ' ' HD3' ' A' ' 57' ' ' PRO . 1.3 t30 -54.39 111.94 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.809 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -102.09 97.18 7.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.686 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 55' ' ' ASN . 53.8 Cg_endo -69.72 -6.38 18.45 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.05 116.9 23.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -66.07 140.46 58.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -105.77 149.04 26.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.4 m -57.02 -177.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.001 0.429 . . . . 0.0 110.796 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -43.72 149.07 0.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.721 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 177.05 6.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -90.66 149.93 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -150.34 145.13 25.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -150.29 150.28 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.549 ' C ' HD22 ' A' ' 68' ' ' LEU . 4.0 m -78.41 139.22 38.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.549 HD22 ' C ' ' A' ' 67' ' ' SER . 3.2 mm? -118.97 70.65 0.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -49.65 178.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 69' ' ' LEU . 21.2 mt-10 -164.2 134.8 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.41 161.89 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.13 171.26 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -120.62 -141.24 6.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -81.0 83.55 6.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -102.02 131.55 48.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -144.57 109.95 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.69 76.92 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -100.75 175.11 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -133.2 34.73 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.2 p -157.12 142.31 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mt -56.04 121.19 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -145.08 128.84 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 85' ' ' TYR . 47.7 t -72.05 131.39 42.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.5 ttp -78.11 -19.86 53.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.419 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 3.8 t80 -71.67 -60.76 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.0 p -95.1 -54.38 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 104.06 71.83 0.87 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.481 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 5.9 t-160 -139.3 106.68 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 m -57.52 149.11 21.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 97.7 m-85 -130.92 175.24 9.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -106.22 -47.34 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -112.91 160.92 17.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 30.6 mt -60.41 -55.13 37.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.63 ' O ' HG12 ' A' ' 98' ' ' VAL . 43.6 tp60 -37.78 -60.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.488 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 4.0 m-20 -41.82 -41.64 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.587 HD13 ' C ' ' A' ' 96' ' ' LEU . 2.0 tm? -72.75 -54.15 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.6 m -57.97 -62.36 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.8 p -48.12 -21.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -83.78 -47.76 10.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.487 ' HG3' HD13 ' A' ' 96' ' ' LEU . 5.8 mtp -51.44 -30.73 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 17.5 mt -88.76 -53.56 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.525 ' HD2' HG22 ' A' ' 98' ' ' VAL . 8.8 mtpm? -54.51 -22.65 13.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.1 p -116.24 -14.42 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 53.49 46.37 26.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.491 ' O ' HG13 ' A' ' 109' ' ' VAL . 32.9 m170 -81.77 -34.03 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -65.59 -22.42 66.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -35.85 55.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.12 90.2 3.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 105' ' ' HIS . 1.6 m -121.07 -3.76 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.1 m -150.16 -175.05 4.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -171.14 -113.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -178.59 2.4 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 t -138.6 141.21 39.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.8 p -91.33 -58.8 2.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -160.33 125.99 4.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -160.67 163.13 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -94.93 -87.64 1.71 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.7 p 38.13 49.81 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.863 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -53.47 104.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.782 ' HA3' ' HB2' ' A' ' 77' ' ' ALA . . . -176.33 -149.04 7.33 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' O ' ' CE ' ' A' ' 84' ' ' MET . 18.6 mmtp -140.75 109.82 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 10' ' ' TYR . 2.0 tt -169.52 140.15 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.477 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -86.35 138.76 31.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.24 -127.16 5.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 t -174.56 130.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.8 pt -86.55 137.64 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 15' ' ' THR . 22.9 t80 -97.85 89.33 4.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 14' ' ' PHE . 32.4 p 31.6 49.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.61 -165.97 2.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.558 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.68 167.13 21.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.504 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 78.8 p -120.08 101.24 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -88.85 -58.05 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.729 ' HB3' HD22 ' A' ' 35' ' ' LEU . 40.4 m-85 -82.59 145.26 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 mtp85 -135.78 131.33 35.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.33 144.54 31.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ASP . 12.9 tttm -78.57 -65.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.3 m-20 -34.52 -65.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.8 p -100.36 -175.19 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.7 p -107.97 47.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.38 168.06 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 18' ' ' SER . . . -155.23 140.34 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -123.45 166.55 15.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.0 -40.68 10.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 p -108.86 135.65 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.7 tp -57.91 -49.03 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 34' ' ' GLU . 10.0 p -45.07 -40.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.232 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 33' ' ' VAL . 7.1 mt-10 -72.59 -39.77 67.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 20' ' ' PHE . 28.9 tp -65.13 -60.92 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 7.9 p -37.11 -43.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 33' ' ' VAL . 73.2 t -56.01 -55.76 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -58.34 -31.25 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.426 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 18.7 mtm -68.03 -55.09 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -69.46 -29.64 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -71.01 -68.45 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.1 p -74.18 2.2 9.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.41 -31.71 4.08 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 42.4 m170 -43.74 159.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -138.37 166.67 23.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' N ' ' SD ' ' A' ' 39' ' ' MET . 3.6 tpp85 -49.06 158.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.41 -50.01 4.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -74.02 174.38 8.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -63.93 119.03 9.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 34.7 p-80 -62.86 167.51 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -152.95 160.0 43.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.9 p -120.81 128.09 52.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.075 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.85 -23.67 22.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -120.89 133.25 55.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.58 89.99 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -135.09 144.64 50.99 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -18.29 36.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.25 . . . . 0.0 112.318 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -66.64 89.88 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -88.15 39.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -61.61 94.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.8 m -71.03 145.48 49.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.46 153.95 91.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.558 0.694 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -178.68 2.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.391 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 12.6 ttp-105 -123.09 23.38 9.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.8 152.87 21.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -50.74 126.73 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 m -139.58 141.82 37.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mp -125.48 71.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.3 mt -76.73 132.63 39.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -112.84 31.77 6.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.61 176.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -38.52 132.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.1 -57.45 0.42 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -78.11 95.98 5.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.74 0.305 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 2.5 tt0 -121.1 81.0 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -134.91 57.17 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.782 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . . . -75.59 83.4 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -42.09 149.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.01 -30.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.0 p -119.81 142.25 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.558 ' CD1' ' C ' ' A' ' 92' ' ' SER . 10.9 mt -38.7 126.72 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 89' ' ' SER . 2.1 tptp -141.37 140.86 33.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 19.0 t -74.54 158.21 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' A' ' 8' ' ' LYS . 2.3 mpt? -97.4 -38.89 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 4.5 t80 -63.4 -61.82 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 29.8 p -102.42 -49.41 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 100.39 81.96 1.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.562 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 7.0 m170 -122.61 126.42 47.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.35 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.479 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 80.6 p -74.04 114.74 12.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.562 ' CE2' ' O ' ' A' ' 88' ' ' HIS . 41.2 m-85 -107.65 140.86 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -63.68 -32.84 74.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.558 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 53.8 p -154.41 165.49 36.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -50.92 -46.43 60.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' LEU . 7.5 tp-100 -35.89 -65.14 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.0 -42.81 80.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -52.28 -57.22 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.8 m -52.58 -61.24 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.04 -50.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.72 -45.48 94.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 104' ' ' LYS . 9.1 mtt -59.08 -51.58 69.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.51 -48.95 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -61.43 -64.31 0.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.4 p -66.82 -20.94 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' MET . 6.5 mmtp 62.97 53.13 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.409 ' ND1' ' HB3' ' A' ' 85' ' ' TYR . 34.8 m170 -95.22 -33.77 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.483 ' CE1' ' HG3' ' A' ' 107' ' ' GLN . 1.4 p90 -80.33 -26.26 38.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.483 ' HG3' ' CE1' ' A' ' 106' ' ' TYR . 8.4 mt-30 -67.77 -58.86 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -37.72 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.2 t -41.63 -48.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.8 m -53.64 179.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.47 113.82 3.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 179.56 3.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.291 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.4 m -160.27 121.01 2.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -139.2 176.36 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -125.76 176.8 6.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -166.01 171.7 12.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.63 157.14 24.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -173.59 112.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.979 0.418 . . . . 0.0 110.813 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -72.03 155.88 39.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.23 146.78 6.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' C ' ' HE3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -127.34 84.28 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.3 mt -128.75 159.16 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -132.51 56.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.36 90.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.8 p -126.93 85.64 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -91.57 42.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.75 103.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 88.4 m -148.97 137.04 20.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.53 172.35 34.98 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.51 -178.19 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.2 m -122.59 120.5 33.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -64.86 -53.13 51.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 61.2 m-85 -113.93 161.02 18.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -149.94 127.08 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.71 135.51 41.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -71.87 -64.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -44.82 -66.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 27' ' ' ALA . 14.6 p -96.97 155.68 16.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -84.46 36.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.536 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . . . -99.7 127.25 45.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.56 155.68 27.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -134.45 159.42 41.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.491 ' OD2' HG23 ' A' ' 31' ' ' THR . 5.7 p-10 -77.77 -48.05 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.491 HG23 ' OD2' ' A' ' 30' ' ' ASP . 61.6 p -112.72 143.63 43.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' LEU . 21.5 tp -52.91 -49.9 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 34' ' ' GLU . 33.7 m -40.27 -44.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.491 ' N ' HG23 ' A' ' 33' ' ' VAL . 57.7 mt-10 -68.35 -33.96 75.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' LEU . 24.6 tp -71.74 -53.2 14.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.446 HG23 ' HG ' ' A' ' 32' ' ' LEU . 39.4 p -48.76 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 p -36.82 -33.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' THR . 8.9 t60 -82.78 -45.24 14.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' THR . 38.0 mtm -56.5 -43.11 79.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -71.25 -51.33 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -51.11 -66.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.6 p -70.1 -48.97 55.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.64 27.75 2.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.508 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 14.8 m170 -90.21 -175.34 4.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 24.2 m-85 -150.27 140.38 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -50.97 175.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -131.62 36.13 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.35 172.42 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.785 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -94.2 136.25 34.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -161.03 177.67 10.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -89.85 165.83 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.801 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.4 p -138.54 163.22 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.176 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -54.3 -22.14 11.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -104.38 171.11 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -133.85 122.72 23.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -101.23 130.69 24.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.557 0.694 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -3.19 11.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -90.69 46.02 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 13.9 ptt180 -115.17 90.21 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.95 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.481 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 13.8 m95 -172.29 178.35 2.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.6 p -165.8 163.58 18.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 148.2 39.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -179.22 2.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.736 2.291 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -162.79 144.04 10.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.818 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -82.33 164.04 21.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -136.65 172.75 12.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 p -106.86 153.24 22.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.795 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mp -131.27 73.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -108.99 128.06 54.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.45 ' CD ' ' O ' ' A' ' 70' ' ' GLU . 2.4 pp20? -131.54 54.54 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 35.1 mtm -88.46 29.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -130.13 146.59 51.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -159.12 -139.63 2.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -121.95 79.58 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -96.35 167.13 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.73 105.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.2 78.77 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -101.64 -35.82 8.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -49.05 -62.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 p -124.26 141.27 44.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.061 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.9 mt -59.38 130.27 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -145.73 145.0 30.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 87' ' ' GLY . 41.8 t -91.87 108.55 20.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 7.5 tpp -49.88 -40.42 42.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.418 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 5.2 t80 -52.54 -72.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 23.1 p -92.0 -50.89 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 100.25 57.67 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -108.63 100.76 9.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -55.87 137.86 49.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.649 ' CD1' ' CG ' ' A' ' 95' ' ' ASP . 61.0 m-85 -129.92 169.21 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -96.47 -47.15 6.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.7 p -119.28 162.5 18.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.6 tp -61.29 -38.27 86.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -39.8 -58.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.649 ' CG ' ' CD1' ' A' ' 90' ' ' PHE . 6.5 t0 -53.3 -56.52 15.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.48 HD13 ' HG3' ' A' ' 100' ' ' MET . 2.6 tm? -52.38 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.463 ' O ' HD12 ' A' ' 101' ' ' ILE . 6.7 t -42.09 -69.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.593 HG12 ' HE2' ' A' ' 102' ' ' LYS . 92.5 t -44.68 -55.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -46.61 -50.65 17.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.48 ' HG3' HD13 ' A' ' 96' ' ' LEU . 4.3 mtt -47.8 -46.32 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.485 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 4.7 mp -74.89 -60.0 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.593 ' HE2' HG12 ' A' ' 98' ' ' VAL . 22.3 mtmt -41.37 -46.92 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.551 ' HB ' ' CD2' ' A' ' 105' ' ' HIS . 78.6 p -93.06 -13.82 28.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' ' 101' ' ' ILE . 3.1 mppt? 54.85 38.25 29.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.551 ' CD2' ' HB ' ' A' ' 103' ' ' THR . 26.4 m170 -67.43 -53.71 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -47.71 -31.02 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -68.39 -39.86 81.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.96 64.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 77.4 t -120.34 -44.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 80.1 p -111.96 90.65 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.43 110.49 1.46 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.59 38.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -114.51 -34.38 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.3 t -124.51 -51.84 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.552 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -166.47 146.83 6.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.815 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 m -159.05 134.85 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.75 123.08 0.65 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 m -133.68 156.85 47.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.8 p -124.52 152.43 43.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.6 154.86 18.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.41 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 128.3 39.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.06 142.22 31.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -103.65 135.72 44.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 171.52 63.68 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.573 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -85.22 43.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.802 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.4 mt -39.65 135.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -59.87 124.26 19.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.4 p -100.51 99.93 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.7 127.3 4.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.46 174.39 6.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.299 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 p -139.92 122.05 15.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -78.56 -48.14 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CD2' HD13 ' A' ' 32' ' ' LEU . 54.5 m-85 -119.85 157.77 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -137.29 175.76 9.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 24' ' ' ASP . 8.9 t -126.09 90.39 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.6 ttpt -33.87 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' CYS . 5.4 t70 -72.21 -70.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 22' ' ' CYS . 30.2 p -101.49 152.89 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -78.35 42.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.65 120.66 42.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.57 160.52 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -136.34 147.27 47.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.83 -40.52 97.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.3 p -121.73 153.51 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 20' ' ' PHE . 45.9 tp -64.58 -49.27 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 34' ' ' GLU . 7.4 p -44.1 -45.69 2.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.603 ' O ' HG12 ' A' ' 37' ' ' VAL . 6.5 mm-40 -63.31 -28.81 70.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.425 HD23 HD12 ' A' ' 32' ' ' LEU . 17.3 tp -81.36 -53.01 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 p -46.01 -43.17 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 34' ' ' GLU . 10.2 p -58.84 -30.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.31 -40.03 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 27.5 mtm -57.44 -38.54 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -82.5 -43.76 16.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -55.11 -57.86 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.7 p -80.63 -45.93 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.36 -27.87 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -45.78 163.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.421 ' C ' ' SD ' ' A' ' 39' ' ' MET . 4.3 m-85 -125.83 173.36 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.497 ' N ' ' SD ' ' A' ' 39' ' ' MET . 21.9 ttp180 -75.56 149.55 38.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 27.0 t70 -91.67 38.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -127.36 165.34 19.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -48.9 106.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.426 ' CD2' ' HB3' ' A' ' 53' ' ' ASP . 11.0 p-80 -105.32 174.48 5.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -109.29 178.92 4.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 52' ' ' THR . 4.7 m 51.46 36.63 17.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' HB3' ' CD2' ' A' ' 50' ' ' HIS . 17.6 p30 -121.98 175.38 6.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -67.54 154.32 41.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.86 94.93 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 2.3 p30 -90.07 143.07 29.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -52.11 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -135.04 40.63 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -133.57 63.31 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.569 ' CG ' ' O ' ' A' ' 60' ' ' TRP . 2.3 p90 -136.52 115.46 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.5 p -175.4 178.5 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.41 136.13 20.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.527 0.68 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 170.01 17.54 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -173.36 129.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.38 130.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -175.12 114.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -172.45 130.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.457 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -111.63 44.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -128.43 70.18 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -132.44 65.28 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.8 mtm -115.24 84.87 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -127.79 177.64 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 142.17 78.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.543 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -82.22 39.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -135.69 106.64 6.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 77' ' ' ALA . 1.5 t70 -82.27 39.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' GLN . . . 36.4 50.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 77' ' ' ALA . 20.4 pt20 32.6 55.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -32.26 6.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.5 p -119.1 145.61 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.74 HD13 ' HA ' ' A' ' 93' ' ' LEU . 0.5 OUTLIER -80.27 110.12 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -146.92 154.76 41.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' A' ' 87' ' ' GLY . 27.1 t -102.27 103.84 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.8 ttm -54.2 -44.18 71.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.408 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 2.4 t80 -39.25 -65.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.9 p -102.52 -49.38 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 110.83 82.89 1.33 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.544 ' O ' ' CE1' ' A' ' 90' ' ' PHE . 15.7 m-70 -141.18 109.88 6.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.0 p -75.95 138.96 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.544 ' CE1' ' O ' ' A' ' 88' ' ' HIS . 79.6 m-85 -125.16 -175.6 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -108.7 -44.42 4.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.549 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -115.68 146.66 41.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.74 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -52.45 -45.93 66.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -44.7 -49.63 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.26 -47.81 84.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 81' ' ' LEU . 60.8 tp -58.46 -56.59 20.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.61 -61.11 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.0 t -39.25 -62.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.508 ' CD2' ' N ' ' A' ' 100' ' ' MET . 6.1 t60 -47.12 -65.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.508 ' N ' ' CD2' ' A' ' 99' ' ' HIS . 55.2 mtp -41.98 -32.12 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 21.4 mt -79.94 -60.11 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.11 -49.58 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 p -79.47 12.31 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.09 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.35 37.24 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.476 ' O ' HG12 ' A' ' 109' ' ' VAL . 11.3 m170 -82.28 -29.84 30.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.825 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -75.7 -30.6 59.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 108' ' ' LYS . 8.8 tm0? -74.04 -70.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 107' ' ' GLN . 2.1 mptp? -36.59 -67.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 105' ' ' HIS . 12.0 p -44.67 144.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 109' ' ' VAL . 63.8 m -34.79 114.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.417 ' HA3' ' HD2' ' A' ' 112' ' ' PRO . . . -155.25 -135.54 2.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.417 ' HD2' ' HA3' ' A' ' 111' ' ' GLY . 54.0 Cg_endo -69.69 -173.74 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -140.97 -176.94 4.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.7 p -117.19 -57.47 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -172.3 123.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.945 0.402 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -152.16 175.19 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.74 147.36 41.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -123.07 125.32 44.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.817 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.2 p -171.1 175.55 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.43 103.75 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -136.96 157.28 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.1 pp -89.67 127.59 35.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -94.37 171.92 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.33 41.07 26.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -130.91 83.5 2.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.702 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.8 pp -120.33 131.04 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -97.93 123.23 41.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' GLY . 9.8 p -80.45 41.79 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' THR . . . 34.26 -112.7 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.39 145.93 4.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.321 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 m -129.62 106.52 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -110.51 -47.0 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' HB3' HD22 ' A' ' 35' ' ' LEU . 37.4 m-85 -111.34 137.31 49.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -129.37 138.84 51.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.0 t -79.76 140.28 36.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -63.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.9 m-20 -48.47 -69.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.7 p -96.99 178.16 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -100.68 41.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.45 109.9 22.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.01 156.35 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.533 ' CD2' ' HA ' ' A' ' 35' ' ' LEU . 67.1 m-85 -140.44 157.57 45.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.48 -47.58 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -113.06 151.9 30.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.59 -42.35 96.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -49.75 -24.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.507 ' O ' HG12 ' A' ' 37' ' ' VAL . 8.4 mm-40 -87.92 -34.87 17.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.533 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 25.4 tp -73.28 -56.08 5.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.6 p -45.81 -56.45 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 34' ' ' GLU . 7.7 p -46.83 -30.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -82.92 -38.17 23.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.8 mtm -60.69 -29.46 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -89.5 -54.18 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -44.22 -55.47 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.7 p -89.48 -43.89 10.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.97 -27.03 4.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 36.4 m170 -43.8 165.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -138.49 162.81 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -57.35 169.55 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.83 -46.77 3.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.87 150.22 10.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 53.36 46.45 26.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -49.97 177.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -80.3 176.79 9.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.8 p -56.61 170.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 10.5 t70 -61.56 157.18 17.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 33.5 m-80 -57.06 178.88 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 56' ' ' ASN . 8.3 t30 -103.74 117.15 33.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 58' ' ' LYS . 10.9 t-20 -34.18 140.74 0.26 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.534 ' O ' ' C ' ' A' ' 58' ' ' LYS . 54.0 Cg_endo -69.78 20.49 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.737 2.291 . . . . 0.0 112.293 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 57' ' ' PRO . 72.9 mttt -25.05 100.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -112.2 19.47 17.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -76.6 84.64 3.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -167.22 180.0 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 151.39 84.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -171.72 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.602 2.201 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -73.62 175.6 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -49.02 174.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -50.93 171.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -141.4 166.58 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' C ' HD12 ' A' ' 69' ' ' LEU . 1.5 mm? -115.89 39.22 3.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD12 ' C ' ' A' ' 68' ' ' LEU . 4.1 mp -147.06 117.74 7.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -148.91 117.44 6.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 mmt -132.28 104.68 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -132.26 162.34 31.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.43 82.06 0.51 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -96.01 41.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -129.98 89.5 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -93.87 39.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.04 42.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.12 -50.58 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -56.98 -49.73 74.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.425 HG22 ' N ' ' A' ' 81' ' ' LEU . 12.3 p -142.79 154.41 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 96' ' ' LEU . 7.5 mt -71.66 96.36 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.423 ' C ' HD21 ' A' ' 96' ' ' LEU . 27.2 ttpp -133.7 158.9 42.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 87' ' ' GLY . 51.6 t -97.32 112.22 24.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 7.2 tpp -51.6 -39.63 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.448 ' CD1' ' CE1' ' A' ' 105' ' ' HIS . 3.1 t80 -50.75 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.996 0.427 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.59 ' SG ' ' CE1' ' A' ' 88' ' ' HIS . 2.7 p -83.83 -57.77 3.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 108.46 60.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.438 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.59 ' CE1' ' SG ' ' A' ' 86' ' ' CYS . 0.0 OUTLIER -131.15 97.11 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 93.9 p -70.23 126.92 31.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.411 ' CD2' HD22 ' A' ' 96' ' ' LEU . 70.0 m-85 -104.47 162.82 12.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -98.51 21.23 11.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -156.22 132.84 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.529 ' O ' HD23 ' A' ' 93' ' ' LEU . 2.1 tt -57.78 -32.93 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 98' ' ' VAL . 16.7 tp60 -66.8 -42.28 86.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -59.92 -38.64 82.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -77.17 -68.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 m -43.7 -38.48 3.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 94' ' ' GLN . 11.4 t -61.92 -67.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.516 ' CD2' ' HE1' ' A' ' 88' ' ' HIS . 13.2 t60 -44.72 -53.16 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.467 ' HG2' HD13 ' A' ' 96' ' ' LEU . 4.3 mmt -39.78 -42.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.7 mt -86.59 -61.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.419 ' HG3' HG13 ' A' ' 98' ' ' VAL . 7.1 mtpt -40.52 -33.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.3 p -107.8 -19.1 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.44 40.49 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.448 ' CE1' ' CD1' ' A' ' 85' ' ' TYR . 4.0 m170 -72.5 -52.1 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -58.05 -18.2 22.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -93.36 -46.34 7.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 109' ' ' VAL . 30.3 mmtt -67.17 -50.69 60.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 110' ' ' SER . 8.1 p -35.8 143.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 109' ' ' VAL . 1.2 t -34.4 137.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -168.83 -168.44 30.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.262 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 t -169.63 142.74 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.2 p -174.89 174.91 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -154.13 151.12 28.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -173.36 172.17 3.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.95 135.0 1.81 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -150.95 151.37 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -118.66 -57.87 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.49 152.03 1.53 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -141.11 169.11 18.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 tp -116.65 129.94 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -80.27 163.25 24.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.53 113.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.545 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -105.4 83.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.6 pt -101.67 132.61 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -104.48 41.75 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.2 t -122.93 -2.15 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.061 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.72 -120.2 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.01 174.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.469 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 88.0 p -155.25 122.06 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -73.73 -64.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 61.5 m-85 -92.4 166.3 12.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.553 ' HG2' ' HB2' ' A' ' 28' ' ' ALA . 88.9 mtt180 -152.53 154.97 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -100.67 135.76 41.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -72.49 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.534 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 2.6 m-20 -44.79 -69.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.7 p -94.29 -177.65 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -109.32 43.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.27 111.67 24.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.553 ' HB2' ' HG2' ' A' ' 21' ' ' ARG . . . -99.97 160.67 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -141.96 155.41 45.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.81 -47.87 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 p -113.58 155.46 25.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 10.8 tp -63.0 -48.11 80.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -43.16 -37.27 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.81 -37.53 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.9 tp -73.72 -54.88 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.487 HG23 ' HG ' ' A' ' 32' ' ' LEU . 25.1 p -42.15 -67.3 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 38' ' ' HIS . 7.3 p -37.51 -43.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 37' ' ' VAL . 6.7 t60 -70.26 -47.2 62.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 31.7 mtm -50.26 -41.09 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -82.76 -43.45 16.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -50.64 -44.69 57.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.9 p -98.87 -47.65 5.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.05 -36.58 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 12.0 m170 -38.4 156.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -132.19 170.35 15.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.973 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.403 ' N ' ' SD ' ' A' ' 39' ' ' MET . 31.1 tpt85 -57.44 147.68 25.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' HB2' ' CB ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -85.65 -52.04 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -46.55 124.54 6.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 52' ' ' THR . 11.7 p30 -65.32 -40.12 93.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -48.24 -32.87 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -100.98 117.52 35.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 49' ' ' ASN . 71.4 p -142.09 143.06 32.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -96.63 -26.85 15.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -62.31 141.84 58.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -75.91 -30.96 58.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.48 ' OD1' ' C ' ' A' ' 56' ' ' ASN . 5.0 t-20 -104.37 96.57 10.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.656 0.741 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -30.21 22.43 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 14.2 pttp -68.61 108.44 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 60' ' ' TRP . 12.1 ttm180 -49.69 176.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.403 ' O ' ' O ' ' A' ' 59' ' ' ARG . 67.4 m95 -48.49 178.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.6 p -69.55 152.68 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.35 162.83 0.22 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 176.06 7.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.321 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -102.46 21.83 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' ARG . 16.8 mmtp -97.07 176.91 5.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' LYS . 24.1 mtp180 -33.81 134.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.403 ' O ' HD22 ' A' ' 69' ' ' LEU . 2.1 m -175.5 -175.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 mp 42.2 27.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD22 ' O ' ' A' ' 67' ' ' SER . 4.1 mm? -51.1 -179.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -93.95 110.57 22.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.2 mmt -131.83 177.36 7.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -92.23 105.52 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.64 -140.97 3.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.551 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.2 105.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -104.24 47.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -131.2 37.52 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.2 42.22 2.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -131.84 43.53 3.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -127.99 -62.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.45 143.93 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 mt -40.97 103.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -132.08 154.34 49.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 20.2 t -90.46 154.64 19.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.4 mtp -99.48 -33.87 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -62.09 -59.39 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 29.4 p -102.29 -50.1 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 102.84 68.72 0.8 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 22.8 t-80 -115.19 136.97 52.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.8 p -88.99 120.16 30.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.574 ' CD1' HD23 ' A' ' 96' ' ' LEU . 15.9 m-85 -111.75 177.22 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 92' ' ' SER . 11.6 pt-20 -110.69 -48.27 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -109.27 149.25 29.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.416 ' O ' HD23 ' A' ' 93' ' ' LEU . 2.1 tt -52.84 -45.86 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.861 ' O ' HG12 ' A' ' 98' ' ' VAL . 0.4 OUTLIER -44.64 -61.28 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.404 ' HA ' ' CG1' ' A' ' 98' ' ' VAL . 14.5 m-20 -44.75 -27.98 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.574 HD23 ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -80.82 -61.52 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 t -52.8 -31.97 41.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.1 p -82.06 -39.32 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -57.17 -58.37 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.8 mmt -50.26 -63.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 83.8 mt -48.02 -39.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -62.77 -47.68 82.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 104' ' ' LYS . 66.0 p -101.45 24.06 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 103' ' ' THR . 15.0 ttpt 33.11 50.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -84.9 -37.56 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.593 ' O ' HG22 ' A' ' 109' ' ' VAL . 6.6 p90 -70.04 -41.56 74.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 3.5 tt0 -71.96 -36.27 69.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -81.31 40.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 106' ' ' TYR . 35.1 m -106.82 -38.01 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 t -95.63 175.82 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.44 140.08 8.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 -171.83 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.382 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.6 m -140.87 174.09 10.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.8 t -96.48 178.38 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 m -141.13 153.42 45.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -173.45 141.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.58 -150.13 6.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.559 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -157.71 153.74 27.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.865 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -151.9 152.02 32.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.25 162.81 36.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -122.86 134.64 54.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.832 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -64.59 163.76 13.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -105.26 174.38 5.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.58 103.45 0.3 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.428 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 m -65.62 82.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.452 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.6 pp -54.04 145.81 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.073 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -127.02 172.87 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.9 m -150.15 110.71 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.19 160.09 49.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.474 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.13 148.11 51.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -156.7 126.31 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -42.84 -55.74 3.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 58.1 m-85 -108.43 165.86 11.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -150.38 150.51 31.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.39 138.59 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -77.18 -65.15 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -40.35 -67.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.3 p -103.59 -177.8 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -103.57 40.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.55 107.48 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.27 166.73 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -141.19 159.05 43.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.31 -43.12 21.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.3 p -113.03 145.41 40.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 65.4 tp -61.57 -53.14 60.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 34' ' ' GLU . 34.3 m -40.76 -39.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 33' ' ' VAL . 25.9 mm-40 -72.62 -42.19 64.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.28 -57.0 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 p -38.22 -58.88 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.475 HG12 ' OE1' ' A' ' 41' ' ' GLU . 55.3 t -43.5 -50.67 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' HA ' ' CD ' ' A' ' 41' ' ' GLU . 26.8 t60 -64.05 -34.92 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.4 mtm -63.21 -37.98 89.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -88.78 -56.12 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.61 ' CG ' HG23 ' A' ' 42' ' ' THR . 6.8 pt-20 -39.84 -39.94 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.61 HG23 ' CG ' ' A' ' 41' ' ' GLU . 33.3 p -102.83 -36.49 8.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.23 -21.87 9.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.424 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 43.1 m170 -47.25 164.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -137.6 156.96 47.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.448 ' CZ ' ' NE2' ' A' ' 50' ' ' HIS . 9.2 ttt180 -53.9 173.3 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.75 -39.16 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -42.81 165.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -50.85 -71.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.448 ' NE2' ' CZ ' ' A' ' 46' ' ' ARG . 2.0 m-70 63.37 51.37 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -104.48 163.59 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.7 m -74.67 143.05 44.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.19 111.52 17.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -140.41 174.33 10.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' ASN . 14.4 p30 -145.48 166.09 26.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' ASN . 7.1 p30 -34.56 99.09 0.16 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -17.56 37.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 59' ' ' ARG . 23.4 mtpp -108.65 47.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' LYS . 31.6 ttp180 34.51 36.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.416 ' N ' ' O ' ' A' ' 58' ' ' LYS . 15.4 t-105 -99.95 97.63 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.0 m -141.56 140.66 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -67.08 144.15 98.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.532 0.682 . . . . 0.0 110.949 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 177.49 5.49 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.429 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -163.45 128.4 2.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -78.4 133.73 37.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -175.01 155.93 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.6 m -153.95 173.98 15.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mp -127.34 -61.66 1.13 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp 48.4 54.04 11.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -101.9 113.67 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -100.82 144.36 29.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -123.07 177.95 5.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -121.29 -144.09 6.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 73' ' ' GLY . 11.1 ptmt 30.28 46.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 74' ' ' LYS . 8.0 tt0 -34.2 146.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -47.17 106.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.28 77.81 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -132.76 44.24 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -79.38 -37.8 36.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 81' ' ' LEU . 6.6 p -153.7 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.59 HD13 ' HA ' ' A' ' 93' ' ' LEU . 15.4 mt -33.54 112.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.509 ' HD3' ' N ' ' A' ' 89' ' ' SER . 3.5 tppp? -143.87 146.35 32.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' GLY . 41.9 t -91.67 107.3 19.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 15.2 ttm -51.86 -46.21 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.421 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 7.4 t80 -40.66 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.3 p -91.86 -51.87 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 115.92 54.24 0.36 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.498 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 90' ' ' PHE . 13.0 m-70 -108.4 119.07 38.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.509 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 69.7 p -91.53 107.64 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.621 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 68.5 m-85 -104.22 133.24 49.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.02 -42.58 97.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.7 m -98.06 140.51 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.59 ' HA ' HD13 ' A' ' 81' ' ' LEU . 39.7 tp -56.41 -45.96 80.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.765 ' O ' HG12 ' A' ' 98' ' ' VAL . 70.4 tp60 -48.53 -44.21 36.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.621 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.8 m-20 -59.83 -49.45 77.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -59.11 -49.52 77.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 100' ' ' MET . 21.0 t -67.1 -69.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.765 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.2 p -37.52 -30.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' SER . 2.2 t60 -66.33 -46.19 77.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' SER . 6.0 mtt -67.41 -22.45 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 12.0 mm -77.06 -30.95 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -89.4 -56.29 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.6 p -70.37 -14.36 62.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 6.2 mptt 55.85 54.23 8.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.658 ' O ' HG12 ' A' ' 109' ' ' VAL . 30.6 m170 -91.11 -45.32 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.452 ' CE1' ' HG2' ' A' ' 107' ' ' GLN . 0.4 OUTLIER -65.57 -20.46 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.452 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 8.0 mm-40 -91.37 -41.48 10.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -63.71 -59.27 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 105' ' ' HIS . 7.7 p -44.78 -36.38 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.5 p -97.32 179.49 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -149.58 115.18 0.7 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -170.95 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.742 2.295 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 t -159.36 172.71 17.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -158.86 166.07 32.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -167.98 155.81 8.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.886 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -156.47 175.32 14.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.8 -159.0 15.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -156.12 140.39 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -82.84 164.94 20.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.98 154.69 20.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -119.55 140.27 50.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -73.42 170.75 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.9 p90 -99.05 128.57 45.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.9 -163.76 20.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.443 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 p -171.81 124.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.839 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 pt -99.21 143.75 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -108.83 155.59 20.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.4 p -133.44 119.31 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.67 125.89 2.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.06 140.11 56.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.735 0.302 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.2 p -122.54 118.46 28.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.66 -53.23 60.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE2' HD13 ' A' ' 32' ' ' LEU . 87.5 m-85 -107.64 149.23 28.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -141.23 117.31 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 44' ' ' HIS . 24.8 t -63.37 125.42 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -86.34 25.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 -56.61 1.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.6 p -106.03 177.49 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.2 t -91.5 41.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.53 149.71 42.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.08 139.84 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -116.95 168.46 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -95.47 -43.55 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.793 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.0 p -101.13 156.57 17.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.597 HD13 ' CE2' ' A' ' 20' ' ' PHE . 39.5 tp -74.98 -41.38 59.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.444 HG13 ' OE2' ' A' ' 34' ' ' GLU . 2.8 p -53.43 -41.78 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' OE2' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -69.55 -34.21 73.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 20' ' ' PHE . 20.7 tp -70.64 -61.97 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' VAL . 45.3 p -38.81 -68.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 36' ' ' THR . 7.4 p -35.54 -40.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.412 ' N ' HG13 ' A' ' 37' ' ' VAL . 6.4 t60 -74.47 -48.07 29.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 41.4 mtm -56.65 -45.49 81.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -68.35 -51.46 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -54.77 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.6 p -71.46 -32.81 68.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.173 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 98.42 27.57 8.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 22' ' ' CYS . 62.4 m170 -91.87 -178.94 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.334 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -146.15 139.19 25.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' N ' ' SD ' ' A' ' 39' ' ' MET . 4.3 ptp180 -70.84 162.5 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -42.38 13.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -40.94 114.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.541 ' ND2' ' H ' ' A' ' 50' ' ' HIS . 1.3 p-10 -65.17 -75.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.541 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 18.5 m-70 52.93 38.58 27.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -104.82 167.74 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.1 p -83.43 170.79 14.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -66.68 172.22 4.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -120.05 23.18 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 56' ' ' ASN . 1.9 p-10 -126.24 -176.29 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 55' ' ' ASN . 27.1 m120 -33.4 146.64 0.1 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.699 0.761 . . . . 0.0 110.807 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 13.12 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 45.34 48.09 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' LYS . 7.7 ttm-85 -33.55 147.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.438 ' CH2' ' HA ' ' A' ' 63' ' ' PRO . 42.2 p-90 -68.31 173.88 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -43.35 167.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -55.81 154.28 14.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.499 ' O ' ' C ' ' A' ' 64' ' ' ARG . 53.1 Cg_endo -69.9 -171.71 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.264 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.499 ' C ' ' O ' ' A' ' 63' ' ' PRO . 40.8 mtt85 -29.61 140.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 165.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -102.43 -174.43 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 66' ' ' ARG . 71.6 p -33.7 130.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.623 ' H ' HD23 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -83.11 21.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -36.58 -36.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -106.59 55.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.1 mtm -43.36 111.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.66 140.19 53.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -142.39 -128.1 2.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.56 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -99.32 100.09 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -45.7 171.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 78' ' ' GLN . 1.5 p30 -81.03 15.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.63 87.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' ASP . 5.2 pt20 -123.55 50.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 12.4 pttp -90.0 -36.26 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.466 ' N ' ' HG3' ' A' ' 79' ' ' LYS . 7.4 p -121.42 143.0 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt -69.61 104.6 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 150.15 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 87' ' ' GLY . 34.7 t -100.92 103.34 14.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -54.64 -48.33 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.632 ' CE1' ' CD2' ' A' ' 105' ' ' HIS . 4.0 t80 -34.26 -67.93 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 105' ' ' HIS . 28.0 p -101.37 -49.28 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 111.88 73.29 0.67 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.446 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -131.49 150.14 52.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.1 p -100.88 155.46 17.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.636 ' CD1' HD23 ' A' ' 96' ' ' LEU . 63.8 m-85 -150.16 172.22 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -96.62 -57.98 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -110.92 171.59 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' LEU . 16.8 mt -65.96 -53.06 43.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 98' ' ' VAL . 40.4 tp60 -36.94 -51.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.89 -41.48 78.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.636 HD23 ' CD1' ' A' ' 90' ' ' PHE . 2.7 tm? -68.13 -54.56 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.5 m -51.94 -52.3 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 94' ' ' GLN . 80.9 t -53.45 -58.95 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -46.74 -52.01 14.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.47 ' HG3' HD13 ' A' ' 96' ' ' LEU . 5.2 mmm -56.78 -71.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.0 mt -44.05 -37.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -70.31 -35.24 73.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 78.6 p -105.53 15.99 26.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' MET . 87.1 mttt 42.25 42.77 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.632 ' CD2' ' CE1' ' A' ' 85' ' ' TYR . 22.0 m170 -85.92 -30.49 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 107' ' ' GLN . 0.2 OUTLIER -82.99 -25.13 32.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.526 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 2.3 tt0 -64.35 -44.8 90.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 11.5 mtpt -47.65 -38.98 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.7 t -76.35 147.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.7 t -83.59 151.17 25.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 109.86 109.18 3.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 113' ' ' SER . 53.5 Cg_endo -69.79 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.739 2.293 . . . . 0.0 112.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 112' ' ' PRO . 88.3 p 32.98 45.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 115' ' ' GLY . 3.2 p -134.11 -56.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 114' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.548 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -170.28 144.65 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.2 p -169.32 152.31 4.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.6 110.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -156.99 156.5 33.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -133.54 173.44 11.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.47 150.23 21.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 136.18 49.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 9' ' ' LEU . 4.0 mm? -57.19 144.9 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -92.42 133.25 36.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.28 108.14 3.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 m -96.18 91.86 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.883 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 13' ' ' ILE . 5.2 mp -51.87 137.36 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.169 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -109.0 142.34 39.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.3 m -136.18 126.64 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -166.83 109.49 0.35 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -124.64 171.64 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -167.76 117.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -55.47 -56.26 22.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -109.73 155.22 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -141.29 132.43 26.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.8 t -85.64 74.99 10.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 24' ' ' ASP . 10.9 tptm -31.98 -62.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 23' ' ' LYS . 2.7 m-20 -30.09 -60.71 0.17 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' CYS . 29.1 p -106.17 -173.69 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 m -100.48 39.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.2 158.7 24.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.1 159.87 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.422 ' CD2' ' HA ' ' A' ' 35' ' ' LEU . 98.7 m-85 -138.96 166.92 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.21 -39.18 18.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.6 p -114.31 151.88 32.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.601 ' O ' HG22 ' A' ' 36' ' ' THR . 37.4 tp -64.95 -50.02 68.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.2 m -49.73 -29.99 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -81.75 -22.97 36.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 28.6 tp -86.84 -57.24 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 37' ' ' VAL . 1.3 t -44.12 -59.29 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.652 ' H ' HG23 ' A' ' 36' ' ' THR . 11.8 p -39.2 -28.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' THR . 10.3 t60 -91.55 -37.9 12.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' THR . 51.7 mtm -68.89 -51.44 40.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -60.82 -38.51 85.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.94 -68.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.7 p -63.54 -48.04 79.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.192 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.57 -23.81 2.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -51.0 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -159.96 178.36 9.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -47.85 159.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.07 28.96 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.13 171.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -48.36 -58.3 4.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -60.42 98.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.49 -75.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.2 t -128.18 -9.39 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASN . 1.1 p-10 -48.53 -26.03 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' ASP . 19.9 t-20 -37.55 -55.69 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -115.38 110.86 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -132.28 87.24 43.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.74 -25.38 28.73 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.391 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -116.71 101.43 8.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.8 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.17 154.38 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -69.19 82.85 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -108.35 32.23 4.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.14 151.42 71.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.527 0.68 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 -179.8 3.12 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -141.71 139.8 33.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -44.29 144.16 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptp85 -125.57 159.39 32.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.3 p -73.04 174.12 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -126.99 74.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.8 mp 36.89 53.29 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -50.38 101.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.1 mmt -74.05 170.14 16.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -108.78 177.27 4.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.78 131.04 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -79.71 43.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.731 0.3 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -95.23 30.55 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.18 38.94 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.91 48.86 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -93.04 -60.37 1.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -120.78 11.37 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 82' ' ' LYS . 2.5 t -107.07 151.63 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.711 HD13 ' HA ' ' A' ' 93' ' ' LEU . 9.1 mt -94.48 50.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.473 ' N ' HG12 ' A' ' 80' ' ' VAL . 18.8 ttpt -84.82 167.58 15.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 85' ' ' TYR . 44.8 t -111.66 127.04 55.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.4 ttp -66.27 -28.73 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.437 ' CB ' ' HB3' ' A' ' 105' ' ' HIS . 22.0 t80 -63.7 -72.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.643 ' SG ' ' CE1' ' A' ' 88' ' ' HIS . 3.1 p -82.7 -59.48 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.45 68.25 0.57 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.451 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.643 ' CE1' ' SG ' ' A' ' 86' ' ' CYS . 0.0 OUTLIER -135.39 107.02 6.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.0 p -63.36 123.79 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.571 ' CE2' ' CE1' ' A' ' 88' ' ' HIS . 35.5 m-85 -108.2 -173.68 2.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -132.1 -31.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.2 m -103.41 123.96 47.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.711 ' HA ' HD13 ' A' ' 81' ' ' LEU . 12.3 tp -51.01 -33.95 27.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.686 ' O ' HG23 ' A' ' 98' ' ' VAL . 9.7 tp60 -62.66 -44.91 95.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.13 -33.97 67.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.577 HD13 ' C ' ' A' ' 96' ' ' LEU . 3.0 tm? -86.29 -65.13 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.477 ' O ' HD13 ' A' ' 101' ' ' ILE . 28.5 t -43.91 -28.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 94' ' ' GLN . 97.1 t -85.62 -64.87 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.1 t60 -37.09 -52.14 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 104' ' ' LYS . 30.5 mmm -43.56 -54.19 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 97' ' ' SER . 2.4 mp -71.74 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -38.38 -42.38 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.1 p -99.09 -18.61 17.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.3 OUTLIER 63.83 38.28 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 85' ' ' TYR . 11.6 m170 -65.79 -47.86 73.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 107' ' ' GLN . 10.1 p90 -60.12 -44.79 94.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 3.0 tt0 -33.76 -37.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 106' ' ' TYR . 28.0 mttp -81.54 40.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 106' ' ' TYR . 86.0 t -143.03 133.2 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 46.8 t -63.5 112.44 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 157.0 166.35 16.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -172.51 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.4 t -151.69 175.91 11.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.8 p -168.51 177.71 5.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.476 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.412 0 N-CA-C 112.581 -0.207 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -122.43 88.22 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.816 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -121.31 -50.1 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.99 -172.03 55.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -166.16 177.31 7.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.834 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -93.39 136.36 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.0 129.7 9.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -114.47 121.3 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.4 tp -115.47 146.66 41.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -113.51 141.4 47.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.1 170.76 23.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.438 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -161.44 111.97 1.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 0.0 110.789 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 pt -94.15 142.2 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -89.16 135.69 33.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 88.5 m -132.64 115.43 15.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.82 97.6 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.65 137.98 53.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.07 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 p -131.85 106.22 7.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -71.43 -50.61 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 30.0 m-85 -102.9 167.72 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -148.41 151.24 34.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -102.65 130.64 49.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -65.03 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.452 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . 13.5 t0 -43.52 -69.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.8 164.56 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 t -95.04 40.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.61 121.01 44.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.27 163.73 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -138.59 159.39 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -82.75 -45.25 14.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -109.02 150.36 27.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 34.9 tp -66.92 -50.81 61.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.8 m -46.95 -28.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.92 -35.55 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 tp -75.94 -49.93 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' MET . 33.3 p -46.4 -65.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.582 HG22 ' OE2' ' A' ' 41' ' ' GLU . 13.1 p -41.17 -31.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -83.27 -36.7 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 34.1 mtm -62.8 -44.79 95.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -74.3 -39.51 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.582 ' OE2' HG22 ' A' ' 37' ' ' VAL . 19.6 mt-10 -56.84 -61.41 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.9 p -81.52 -38.8 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.76 23.64 5.55 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.543 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 41.4 m170 -88.41 -174.28 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 21.9 m-85 -143.92 157.09 44.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.491 ' N ' ' SD ' ' A' ' 39' ' ' MET . 32.9 ptt-85 -82.31 36.85 0.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 22.2 t70 40.95 34.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -56.53 154.65 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -75.77 -59.34 2.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -46.0 113.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.76 141.92 47.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.3 p -101.44 -2.23 31.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.44 92.11 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -162.96 172.15 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -70.98 -49.93 39.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 14.6 t30 56.99 55.01 7.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.743 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 56' ' ' ASN . 54.4 Cg_endo -69.69 -0.45 6.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 49.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -133.89 150.62 51.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -59.42 105.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 m -136.4 166.08 24.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.04 154.89 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.69 4.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 65' ' ' LYS . 9.7 ttp180 -56.24 161.43 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 64' ' ' ARG . 6.6 mmpt? -34.02 105.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -62.1 176.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -50.35 174.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -84.8 -71.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 69' ' ' LEU . 3.4 mm? -120.51 118.59 30.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.409 ' C ' ' HG2' ' A' ' 71' ' ' MET . 13.9 pt-20 -140.29 108.36 5.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.409 ' HG2' ' C ' ' A' ' 70' ' ' GLU . 11.0 mmt -148.65 110.19 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.58 87.78 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.19 118.96 0.62 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -87.19 40.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.731 0.301 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -130.96 107.43 9.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -87.37 43.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 53.17 39.35 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -131.62 94.14 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -86.3 44.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.547 HG12 ' H ' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -88.26 173.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.6 mt -75.05 55.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -92.37 159.55 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.431 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 11.8 t -93.63 143.83 25.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.7 ttp -83.48 -34.41 25.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.639 ' CD2' ' CE1' ' A' ' 105' ' ' HIS . 35.2 t80 -68.88 -75.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.96 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.509 ' N ' ' CD2' ' A' ' 85' ' ' TYR . 29.8 p -90.65 -47.71 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 98.97 91.42 2.01 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.41 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 0.8 OUTLIER -131.08 104.98 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.1 p -62.44 142.1 58.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.5 ' CD1' ' CG ' ' A' ' 95' ' ' ASP . 78.4 m-85 -136.04 -178.76 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.37 -45.86 3.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.7 p -113.29 143.82 43.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.612 ' HA ' HD13 ' A' ' 81' ' ' LEU . 13.7 tp -50.37 -44.28 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' LEU . 48.2 tp60 -36.16 -55.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.5 ' CG ' ' CD1' ' A' ' 90' ' ' PHE . 4.7 t0 -50.42 -62.51 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.1 tm? -47.16 -60.04 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.8 t -48.42 -31.25 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 99' ' ' HIS . 6.8 t -82.89 -68.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.453 ' N ' HG12 ' A' ' 98' ' ' VAL . 9.6 t60 -33.75 -45.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.425 ' HG2' HD13 ' A' ' 96' ' ' LEU . 16.5 mmm -54.6 -64.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 76.1 mt -54.96 -45.22 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -51.03 -53.86 29.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 104' ' ' LYS . 37.9 p -98.08 21.41 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 104' ' ' LYS . 6.6 pttt 33.04 45.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.639 ' CE1' ' CD2' ' A' ' 85' ' ' TYR . 35.6 m170 -78.6 -25.91 45.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.423 ' CG ' ' N ' ' A' ' 107' ' ' GLN . 2.3 p90 -64.35 -42.67 96.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 108' ' ' LYS . 3.9 pt20 -67.12 -40.11 86.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 107' ' ' GLN . 1.7 mmmp? -39.99 -56.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 109' ' ' VAL . 4.2 m -76.74 121.6 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.1 t -146.57 -176.9 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -144.75 147.34 18.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 123.4 10.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.747 2.298 . . . . 0.0 112.359 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' SER . 88.7 p -86.34 -48.58 8.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.825 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 113' ' ' SER . 54.0 p -36.31 149.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -137.98 152.43 48.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.816 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -170.48 166.75 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.87 -151.86 9.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -157.72 122.77 4.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -159.39 125.23 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.72 -64.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -122.21 92.27 3.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.311 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.1 32.28 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -101.43 136.42 41.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.24 55.94 0.15 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.6 m -126.5 95.56 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.0 mt -44.92 141.63 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.159 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -52.1 177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.3 p -119.46 112.81 19.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.114 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -154.97 174.49 33.2 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.424 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.36 147.48 32.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.5 m -59.2 95.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -47.43 -50.99 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.631 ' HB3' HD22 ' A' ' 35' ' ' LEU . 25.4 m-85 -111.04 164.91 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -156.14 134.34 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 23' ' ' LYS . 13.9 t -93.58 78.82 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 22' ' ' CYS . 9.1 tttt -33.93 -54.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.2 m-20 -34.2 -61.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.55 -177.77 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -96.02 39.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.66 148.95 43.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.61 170.26 16.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -147.81 168.76 21.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.898 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.86 -39.91 8.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.7 p -104.05 147.8 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 20' ' ' PHE . 48.3 tp -67.88 -46.43 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' CD ' ' A' ' 34' ' ' GLU . 4.4 p -49.32 -38.85 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.531 ' CD ' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -70.36 -47.21 61.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.631 HD22 ' HB3' ' A' ' 20' ' ' PHE . 28.1 tp -60.15 -55.64 31.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -40.78 -61.43 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 33' ' ' VAL . 70.2 t -39.2 -51.21 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -64.81 -49.81 69.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' GLY . 17.3 mtm -47.3 -45.66 24.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -80.22 -59.91 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -38.15 -41.41 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.3 p -100.01 -40.76 7.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 39' ' ' MET . . . 127.37 -32.52 3.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.593 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -43.97 167.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -134.59 172.8 12.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -56.34 177.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.32 -27.08 3.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.79 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.44 9.41 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -112.24 151.05 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -85.88 91.48 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.798 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -103.34 106.57 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 52' ' ' THR . 8.1 m 38.0 33.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.19 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.93 135.42 57.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -105.49 -51.25 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -117.41 126.04 51.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -106.94 111.48 63.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.68 5.59 1.61 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm 41.05 47.97 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -134.5 47.06 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.467 ' CG ' ' N ' ' A' ' 61' ' ' SER . 3.7 p90 -115.13 -43.36 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 1.9 m -84.69 -176.11 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -83.46 152.89 64.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -174.96 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -39.5 148.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -130.62 157.13 43.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 67' ' ' SER . 2.8 ttm180 -108.02 141.08 40.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 66' ' ' ARG . 15.7 m -88.45 -174.01 4.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 48.37 26.94 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -101.91 39.42 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 71' ' ' MET . 7.8 pt-20 -114.99 40.29 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -34.65 146.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -106.72 61.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -106.7 -128.67 6.07 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 75' ' ' GLU . 36.7 mmtm -112.66 42.26 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' LYS . 4.0 tm-20 35.52 41.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -146.72 134.86 21.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.3 -7.76 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -42.62 145.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.45 36.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 p -167.56 142.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.2 mt -65.3 107.92 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -125.67 149.48 48.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 15.1 t -74.93 151.77 38.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.7 mtt -92.2 -35.13 14.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -68.12 -70.0 0.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 87' ' ' GLY . 28.7 p -93.78 -47.91 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 86' ' ' CYS . . . 97.94 87.05 1.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 15.6 t-80 -126.28 119.09 26.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.7 p -68.56 118.4 11.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 88' ' ' HIS . 96.7 m-85 -112.52 172.94 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -103.25 -48.46 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.2 m -112.55 165.62 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -63.89 -54.08 40.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -39.69 -42.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -59.84 -48.06 83.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 96' ' ' LEU . 1.1 tm? -62.85 -56.28 18.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.4 p -51.23 -61.85 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 99' ' ' HIS . 31.7 t -46.61 -69.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.468 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.0 t60 -32.82 -47.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.0 mmm -64.81 -71.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.8 mt -42.99 -32.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -77.38 -46.49 22.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 104' ' ' LYS . 61.3 p -94.76 16.85 14.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 100' ' ' MET . 39.2 mtpt 34.04 49.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -84.85 -34.94 22.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.75 6.49 12.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -95.31 -33.75 12.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.67 42.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 109' ' ' VAL . 30.4 m -108.27 106.33 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.4 p -174.23 177.31 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -114.44 120.93 5.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -179.02 2.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.0 t -174.49 130.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 t -151.11 177.56 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -172.28 170.65 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -168.92 168.88 10.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.811 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.07 98.91 1.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -153.24 120.13 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.947 0.403 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -154.35 132.13 11.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.19 95.1 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -123.9 121.5 35.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.8 pp -77.9 126.81 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -101.22 131.95 46.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.49 119.22 2.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.9 p -171.17 115.82 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.874 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 pt -97.97 140.38 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.056 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -96.4 163.91 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.436 ' O ' HG22 ' A' ' 15' ' ' THR . 18.3 m -64.64 -6.56 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.52 12.72 6.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.89 139.53 47.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.5 m -151.49 119.11 6.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -84.12 -54.07 5.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.448 ' HB3' HD22 ' A' ' 35' ' ' LEU . 58.3 m-85 -108.23 131.19 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.47 ' CZ ' ' OD2' ' A' ' 47' ' ' ASP . 45.1 mtm105 -125.06 124.13 41.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 23' ' ' LYS . 36.4 t -75.96 80.75 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 22' ' ' CYS . 13.6 tptm -33.49 -53.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' LYS . 8.5 t0 -35.32 -68.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' CYS . 27.5 p -102.2 -176.56 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -94.19 36.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -115.91 163.86 15.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 20' ' ' PHE . . . -155.27 158.51 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -134.11 154.94 50.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -46.33 36.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.6 p -108.34 147.81 30.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -67.41 -44.29 79.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -48.79 -25.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -89.94 -40.29 12.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 20' ' ' PHE . 11.3 tp -63.74 -46.84 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 45.8 p -44.2 -62.38 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 71.0 t -36.27 -54.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -62.18 -49.37 76.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.484 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 29.4 mtm -51.06 -52.94 38.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.94 -51.82 43.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -51.1 -63.83 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.2 p -73.64 -28.56 61.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 95.43 27.87 10.26 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' MET . 17.0 m170 -94.07 -176.63 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.409 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 23.6 m-85 -144.79 147.4 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' N ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -58.01 -178.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.47 ' OD2' ' CZ ' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -123.69 31.01 6.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.23 175.02 5.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -49.96 168.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -159.51 144.11 15.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -110.04 43.27 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.1 p -128.48 114.0 16.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -173.34 143.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 61.75 25.18 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -71.75 -44.57 63.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 34.7 p-10 -96.2 108.52 42.02 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.521 ' O ' ' C ' ' A' ' 58' ' ' LYS . 53.0 Cg_endo -69.81 0.54 5.53 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.735 2.29 . . . . 0.0 112.261 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER 28.05 41.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 57' ' ' PRO . 6.9 ptt-85 -39.69 148.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -92.58 179.45 5.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.2 m -113.51 179.14 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.802 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.01 151.68 0.16 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -169.8 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.244 . . . . 0.0 112.396 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -83.4 150.26 26.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -71.38 -175.49 1.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -104.34 175.19 5.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.463 ' O ' ' CD ' ' A' ' 66' ' ' ARG . 74.7 m -87.89 158.48 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.61 79.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.7 mp -43.37 150.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -98.91 128.86 45.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.77 174.88 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.3 169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -127.62 -105.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 75' ' ' GLU . 3.6 ptpt -81.66 43.42 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.763 0.316 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 74' ' ' LYS . 16.4 tt0 -35.88 151.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.56 45.08 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.64 79.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -133.22 95.04 3.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.98 47.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.5 p -168.92 139.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mt -53.66 106.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.448 ' CE ' ' HB3' ' A' ' 89' ' ' SER . 7.3 ttmt -137.82 149.41 46.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 87' ' ' GLY . 42.5 t -100.64 110.05 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -45.75 86.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.405 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 10.2 t80 -37.88 -59.3 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.5 p -106.39 -52.21 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 110.2 50.14 0.68 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -107.89 121.26 44.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.448 ' HB3' ' CE ' ' A' ' 82' ' ' LYS . 88.8 p -78.42 147.88 33.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 92.8 m-85 -139.18 -175.06 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -114.49 -52.95 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.4 p -113.62 159.49 19.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -51.69 -52.49 47.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.528 ' O ' HG12 ' A' ' 98' ' ' VAL . 39.1 tp60 -36.38 -62.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.578 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 4.2 m-20 -45.06 -46.59 11.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 96' ' ' LEU . 2.7 tm? -64.6 -55.15 22.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 99' ' ' HIS . 40.9 m -55.92 -65.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 94' ' ' GLN . 11.0 p -42.39 -24.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' SER . 3.6 t60 -84.29 -54.19 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 mmt -51.81 -40.07 59.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.425 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 19.7 mt -68.93 -57.0 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -55.59 -57.25 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.5 p -71.94 -21.89 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER 61.69 52.94 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' LYS . 40.3 m170 -92.45 -47.42 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 107' ' ' GLN . 31.8 p90 -40.99 -53.96 2.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.528 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 0.8 OUTLIER -54.38 -58.01 9.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 105' ' ' HIS . 39.6 ttmt -80.0 112.56 17.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.6 t -130.36 -52.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.0 p -120.44 178.55 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -151.43 108.67 0.39 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.64 -175.85 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.776 2.318 . . . . 0.0 112.336 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.1 p -159.31 151.04 20.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.0 t -127.25 178.08 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.432 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.2 t -35.24 132.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -167.2 127.42 1.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.53 132.58 1.37 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 t -96.97 138.88 33.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -105.87 145.22 31.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.02 -167.81 11.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -117.02 165.74 13.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mp -87.31 123.28 32.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -108.04 156.62 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -122.16 156.48 16.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -94.09 91.3 6.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 0.0 110.812 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.2 pt -76.99 144.4 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -73.9 168.79 18.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.5 m -142.94 110.35 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.29 118.84 1.91 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.1 131.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.416 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 72.4 m -105.77 106.24 16.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -55.98 -52.13 65.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 60.4 m-85 -107.01 142.7 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -136.02 134.73 38.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LYS . 8.0 t -94.61 80.07 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' CB ' ' HB2' ' A' ' 47' ' ' ASP . 1.7 tttp -34.25 -56.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.0 m-20 -34.04 -59.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 30.0 p -105.78 -177.37 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 p -100.77 41.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.87 172.0 7.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 18' ' ' SER . . . -156.08 167.52 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -146.97 169.78 18.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -93.68 -42.65 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.2 p -109.98 153.98 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 15.8 tp -73.24 -45.88 53.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -49.8 -22.24 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -89.18 -44.32 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.65 -50.85 69.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' VAL . 21.0 p -42.23 -65.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 53.2 t -37.3 -50.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -66.2 -44.4 84.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.9 mtm -51.85 -49.13 63.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -76.9 -50.24 13.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -43.97 -50.76 8.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.1 p -88.34 -46.16 9.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.91 -36.56 1.67 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 4.6 m170 -45.04 165.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -142.55 173.77 11.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -41.91 153.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -112.58 32.98 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.92 168.0 10.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.82 137.49 45.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -122.3 45.71 2.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -103.99 96.46 6.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -110.49 32.81 4.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.63 128.11 30.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -93.66 141.24 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -110.05 107.59 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 1.1 p-10 -39.66 105.29 0.35 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 53.6 Cg_endo -69.82 -6.83 19.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -104.77 89.89 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 60' ' ' TRP . 49.2 mtt180 -101.48 41.52 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' ARG . 10.9 p90 36.7 37.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.9 p -100.67 153.38 19.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 137.12 96.2 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.07 -179.76 3.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -111.78 176.14 5.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.09 172.68 9.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -164.23 175.0 10.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.704 HD12 ' HG2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -101.12 -32.4 10.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.0 tp 36.08 51.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.704 ' HG2' HD12 ' A' ' 68' ' ' LEU . 12.8 pt-20 -110.91 73.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.8 mmt -66.87 171.11 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -123.26 177.91 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.69 -143.75 9.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -141.65 115.71 9.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 39.28 38.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.71 37.04 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.94 93.03 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -76.17 47.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -128.17 -28.71 2.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.733 ' C ' HD13 ' A' ' 81' ' ' LEU . 7.3 p -146.74 166.85 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.867 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -105.2 135.11 47.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 88' ' ' HIS . 18.4 tttt -146.36 120.21 9.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.401 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 46.2 t -55.97 144.75 27.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.5 ttm -93.02 -25.84 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 4.2 t80 -64.22 -57.07 10.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.1 p -98.11 -51.62 3.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 108.09 50.66 0.76 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.432 ' C ' ' HG3' ' A' ' 82' ' ' LYS . 9.6 m170 -111.84 135.24 52.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.812 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.8 t -85.66 139.63 31.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.553 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 73.4 m-85 -119.53 142.51 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.83 -32.03 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.5 p -116.72 149.59 39.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.6 -40.74 96.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.563 ' O ' HG23 ' A' ' 98' ' ' VAL . 0.7 OUTLIER -57.43 -30.34 64.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.553 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 2.3 m-20 -67.61 -45.33 75.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 2.2 tm? -52.33 -56.99 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.4 t -64.82 -51.64 61.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 94' ' ' GLN . 18.3 t -48.51 -39.82 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -71.69 -45.61 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 104' ' ' LYS . 8.2 mtt -50.87 -43.97 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 60.4 mt -79.47 -50.38 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -49.31 -28.67 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.536 ' HB ' ' CD2' ' A' ' 105' ' ' HIS . 46.5 p -117.81 -6.48 11.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 100' ' ' MET . 6.5 mtpm? 56.22 40.54 29.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.536 ' CD2' ' HB ' ' A' ' 103' ' ' THR . 13.6 m170 -74.23 -41.22 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.925 ' O ' HG22 ' A' ' 109' ' ' VAL . 2.5 p90 -74.87 -43.58 53.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 2.7 tp60 -57.18 -14.76 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 46.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.925 HG22 ' O ' ' A' ' 106' ' ' TYR . 18.5 m -130.14 91.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.8 t 71.91 41.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.32 144.77 23.73 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -171.64 0.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.395 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.0 m -162.78 173.17 14.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 m -152.86 145.67 24.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -72.26 -47.48 49.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -164.65 139.53 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.41 178.37 45.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -165.57 129.8 2.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.846 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -165.94 167.24 16.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.4 136.79 2.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.405 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -85.56 106.47 16.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -85.06 123.33 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -114.48 167.09 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.24 52.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 m -99.62 84.66 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 pt -99.59 138.8 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -145.28 132.83 20.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.9 t -170.98 143.55 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.7 146.23 18.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.94 167.08 22.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.503 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 50.2 p -149.35 134.58 18.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.72 -57.8 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 46.0 m-85 -101.57 144.68 30.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.472 ' HG2' ' HB2' ' A' ' 28' ' ' ALA . 25.6 mtp180 -124.25 179.11 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.0 t -121.55 93.47 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 47' ' ' ASP . 7.8 tttp -38.09 -26.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' CYS . 2.4 m-20 -79.29 -75.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' CYS . 31.4 p -93.3 157.8 16.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -81.45 39.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.22 120.11 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' ' 18' ' ' SER . . . -105.66 166.39 10.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -139.43 155.74 47.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -42.55 67.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.0 p -117.83 145.78 44.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 17.9 tp -67.54 -48.26 67.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -44.95 -34.22 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -79.48 -42.5 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.09 -52.5 62.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 37' ' ' VAL . 33.2 p -40.03 -60.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' THR . 91.9 t -37.41 -49.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -65.95 -55.34 17.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 44' ' ' HIS . 22.7 mtm -45.31 -48.72 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -73.92 -54.26 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -45.65 -59.27 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.6 p -73.55 -50.83 19.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.45 -29.51 1.89 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 39' ' ' MET . 27.3 m170 -50.22 165.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -135.72 163.65 29.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -52.37 178.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . 2.7 p-10 -129.03 31.19 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.8 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -113.45 10.95 18.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -90.54 99.54 12.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 50' ' ' HIS . 1.0 OUTLIER -70.7 82.35 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -89.66 -10.78 44.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.9 p -94.92 110.39 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -84.62 138.08 32.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -98.73 163.43 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -119.94 126.82 51.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -48.01 127.61 11.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.706 0.765 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -6.67 19.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -95.6 91.17 6.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -62.64 155.23 26.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -47.28 122.26 4.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 m -109.01 164.94 11.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -59.45 152.53 54.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.582 0.706 . . . . 0.0 110.9 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -175.24 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.321 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -114.78 149.75 36.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 64' ' ' ARG . 26.1 mtmm -43.64 111.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -82.0 25.96 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.2 p -64.37 -176.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 73.62 35.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -58.35 -177.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -154.52 140.31 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.9 mmt -108.0 136.4 47.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -122.77 178.09 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 0.0 110.797 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.76 133.56 1.68 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -90.54 41.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -127.92 86.67 2.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.534 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 12.3 t70 -173.57 174.84 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 76' ' ' ASP . . . 73.2 47.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -97.94 36.67 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -128.57 -31.19 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.444 ' N ' ' HG2' ' A' ' 79' ' ' LYS . 6.8 p -130.36 146.66 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 92' ' ' SER . 20.6 mt -56.04 118.21 4.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.404 ' CE ' ' HB3' ' A' ' 89' ' ' SER . 11.4 ttmt -145.29 121.42 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -58.82 150.67 23.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 26.4 tpp -98.85 -31.79 11.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.511 ' CD1' ' CE1' ' A' ' 105' ' ' HIS . 3.2 t80 -54.73 -58.18 8.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 23.3 p -104.57 -50.4 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.7 64.54 0.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -120.84 141.15 50.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.404 ' HB3' ' CE ' ' A' ' 82' ' ' LYS . 52.8 p -81.12 151.78 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.563 ' CE1' HD22 ' A' ' 96' ' ' LEU . 77.8 m-85 -136.15 -177.58 4.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -107.0 -54.96 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.499 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 19.3 p -135.03 170.53 15.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.662 ' H ' HD22 ' A' ' 93' ' ' LEU . 2.8 mm? -47.47 -51.83 19.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.66 -58.44 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.02 -44.33 64.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.578 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.5 tm? -63.46 -65.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 98' ' ' VAL . 18.3 t -38.42 -65.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 102' ' ' LYS . 53.4 t -34.95 -71.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' VAL . 11.6 t60 -37.62 -59.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' LYS . 4.4 mmt -48.75 -36.71 17.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' VAL . 23.1 mt -78.03 -62.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 98' ' ' VAL . 37.7 mttp -48.38 -30.9 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.463 ' OG1' ' CD2' ' A' ' 105' ' ' HIS . 34.1 p -105.66 -16.36 14.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER 61.67 49.27 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.511 ' CE1' ' CD1' ' A' ' 85' ' ' TYR . 20.9 m170 -86.88 -24.43 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 107' ' ' GLN . 1.2 p90 -98.98 -4.73 31.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.513 ' HG3' ' CE1' ' A' ' 106' ' ' TYR . 38.7 mt-30 -100.85 21.33 13.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.93 -22.92 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.39 -16.62 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.8 t -106.4 176.56 5.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -127.78 140.39 11.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -168.77 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -130.37 173.68 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.0 p -120.52 177.39 5.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.4 -0.28 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -51.38 150.44 3.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 m -84.64 -55.22 4.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.97 101.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 p -143.12 132.11 22.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.807 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -172.88 159.98 4.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.8 97.76 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -133.74 172.48 12.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.706 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -138.33 166.6 23.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.51 ' N ' HD22 ' A' ' 9' ' ' LEU . 34.8 m-85 -116.98 142.53 46.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.14 107.33 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.5 p -171.81 109.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.6 pt -99.43 145.87 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -78.84 105.34 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.5 m -143.42 116.47 8.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.75 67.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.452 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.94 155.33 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.6 p -140.68 122.04 14.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -77.96 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 24.9 m-85 -88.75 174.6 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -153.94 156.09 36.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 t -108.01 128.54 54.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 0.6 OUTLIER -69.57 -61.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.527 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.8 m-20 -44.84 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.802 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.6 p -92.52 161.52 14.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -92.89 40.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.53 121.11 42.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.67 168.1 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -139.29 168.94 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -93.15 -42.19 9.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.1 p -113.6 146.63 39.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.211 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 50.8 tp -62.46 -52.03 65.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.8 p -45.34 -32.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -79.34 -33.65 42.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.34 -54.78 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 39' ' ' MET . 44.2 p -44.15 -65.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -39.27 -35.78 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -80.58 -39.11 28.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' THR . 33.1 mtm -60.23 -37.7 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -84.02 -45.84 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -54.25 -43.85 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.8 p -91.23 -46.1 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.16 -28.46 3.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 12.1 m170 -47.13 160.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -130.47 161.12 32.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -54.22 118.23 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -55.17 7.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -92.73 158.18 16.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -161.38 138.12 8.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -78.74 98.97 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -144.62 159.21 43.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -115.17 146.57 41.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.31 127.86 34.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -49.34 140.53 10.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -96.49 107.2 19.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.49 84.5 59.12 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.17 15.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -87.05 33.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -133.28 85.7 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -123.64 154.83 38.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.4 m -135.8 144.78 45.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -72.73 151.77 91.24 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.519 0.676 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -176.77 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -128.53 144.25 51.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 7.1 ptmm? -91.27 136.08 33.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -105.4 179.75 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.0 m -96.39 126.84 41.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.673 ' H ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -113.6 39.2 2.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' LEU . 4.6 mp -33.14 144.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -110.03 133.58 53.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 28.1 mmt -72.06 178.48 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -124.18 176.64 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -126.59 105.94 0.81 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.445 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -140.47 124.58 17.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.698 0.285 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 38.29 45.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' GLN . 3.8 t70 -85.76 178.22 7.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.02 75.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' ASP . 19.9 mm-40 -104.8 176.25 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.694 ' HD3' HG12 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -40.51 -27.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.748 ' C ' HD13 ' A' ' 81' ' ' LEU . 13.2 p -157.58 170.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.839 HD22 ' H ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -113.62 149.59 34.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -145.98 125.43 13.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.28 155.73 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.3 mtm -97.97 -29.4 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.613 ' CD2' ' CD2' ' A' ' 105' ' ' HIS . 84.0 t80 -76.1 -72.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 105' ' ' HIS . 30.6 p -79.34 -42.63 25.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.02 79.64 1.17 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.91 136.08 35.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.5 p -82.49 131.81 35.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 93.3 m-85 -113.12 145.27 41.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.41 -44.2 79.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.6 p -116.51 163.49 15.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.777 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -72.24 -45.13 61.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -48.14 -44.14 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.401 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.7 m-20 -55.91 -45.0 78.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 96' ' ' LEU . 3.3 tm? -55.41 -50.27 70.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 71.0 m -59.86 -66.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.5 p -50.04 -28.45 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.53 -54.91 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.7 mmt -49.67 -64.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.56 HD12 ' H ' ' A' ' 101' ' ' ILE . 4.0 mp -48.68 -41.25 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -63.45 -39.62 94.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 104' ' ' LYS . 47.7 p -106.7 19.72 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 100' ' ' MET . 16.0 mttp 34.27 42.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.613 ' CD2' ' CD2' ' A' ' 85' ' ' TYR . 38.4 m170 -80.79 -37.66 29.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 107' ' ' GLN . 4.2 p90 -53.15 -39.81 63.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.523 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 23.6 mm-40 -77.06 -46.75 22.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 4.9 mmpt? -88.8 110.88 21.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 75.9 t -123.72 -39.85 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.6 p -163.97 150.44 11.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -107.27 144.64 15.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -179.91 3.23 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.384 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.0 t -148.63 171.88 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -156.45 173.72 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.495 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -154.12 176.75 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -123.85 -46.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.94 81.83 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -107.63 104.52 14.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.831 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -158.72 115.04 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.1 120.88 1.19 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -149.47 113.52 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 9' ' ' LEU . 1.2 pt? -40.2 145.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -73.48 114.17 11.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.44 -122.99 2.27 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m 55.62 44.93 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 pt -102.67 133.13 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -73.97 118.39 16.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.8 p -136.38 121.74 19.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.131 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.93 71.79 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.49 175.79 10.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.6 p -119.91 99.72 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.91 -58.94 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' HB3' HD22 ' A' ' 35' ' ' LEU . 75.3 m-85 -102.15 155.01 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -142.97 141.17 31.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 t -79.23 130.49 35.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.78 24.07 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.483 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . 7.0 t70 -126.44 -53.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.3 p -111.56 -178.85 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -91.33 36.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.86 152.13 35.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.148 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.73 170.56 15.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -148.14 172.6 14.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -98.07 -42.09 7.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -107.37 134.06 50.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 36' ' ' THR . 0.1 OUTLIER -53.55 -56.0 20.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.954 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -41.35 -24.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.1 mt-10 -91.01 -32.39 15.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 20' ' ' PHE . 59.0 tp -76.66 -48.92 17.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.746 HG23 ' H ' ' A' ' 37' ' ' VAL . 1.2 t -49.77 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.746 ' H ' HG23 ' A' ' 36' ' ' THR . 14.4 p -37.25 -31.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' THR . 7.0 t60 -87.28 -40.14 14.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 36' ' ' THR . 67.4 mtm -66.76 -52.35 45.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.56 -27.9 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 27.6 mm-40 -77.41 -71.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.0 p -66.14 -3.95 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.77 -18.03 46.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.483 ' CG ' ' HB3' ' A' ' 24' ' ' ASP . 32.9 m170 -54.04 -178.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.443 ' C ' ' SD ' ' A' ' 39' ' ' MET . 1.5 t80 -156.72 -176.38 5.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' NE ' ' OD1' ' A' ' 48' ' ' ASP . 24.7 ptt-85 -104.35 157.86 16.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.468 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 1.8 t70 -97.37 75.08 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.466 ' OD1' ' NE ' ' A' ' 46' ' ' ARG . 6.7 m-20 -70.99 161.28 31.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -84.55 119.1 24.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.4 m170 -99.17 41.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 53.59 41.6 32.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.4 p -60.02 128.62 37.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.73 126.87 29.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -117.27 130.14 56.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -122.84 110.73 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -108.99 112.75 59.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.69 12.54 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -99.99 115.08 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.937 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.8 ppt_? -40.29 150.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 7.8 p90 -102.87 171.66 7.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.9 p -103.6 -178.92 3.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -108.34 144.18 28.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.601 0.715 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -178.8 2.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -92.09 179.98 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -77.2 169.1 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -130.31 -179.5 5.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -115.25 161.43 18.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.814 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 68' ' ' LEU . 3.2 mm? -118.74 70.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mp -59.85 178.13 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -130.59 136.84 49.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.7 mmt -108.86 175.78 5.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -124.82 -177.33 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.66 -118.25 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.514 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 75' ' ' GLU . 1.9 pttp -116.23 38.51 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.714 0.292 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 74' ' ' LYS . 6.7 pt-20 28.1 44.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' LYS . 20.7 t70 -165.71 177.24 7.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 55.27 51.98 12.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -112.93 -52.21 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -133.94 48.62 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.1 p -175.4 144.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -83.07 101.29 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 89' ' ' SER . 3.9 tppp? -130.11 137.96 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.564 ' O ' ' N ' ' A' ' 87' ' ' GLY . 22.6 t -90.81 103.14 15.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.798 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' TYR . 28.6 mmm -47.11 -48.66 22.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.425 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 19.8 t80 -37.16 -66.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 18.7 p -101.24 -51.97 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 109.69 61.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.471 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 9.0 m170 -118.26 105.5 11.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 88.1 p -63.4 146.95 52.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.588 ' CD2' HD23 ' A' ' 96' ' ' LEU . 97.7 m-85 -131.58 -179.14 5.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 9.5 pm0 -118.28 -37.75 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.77 148.32 42.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.771 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.14 -47.81 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.725 ' O ' HG12 ' A' ' 98' ' ' VAL . 2.9 tt0 -45.16 -66.15 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.54 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.2 m-20 -36.94 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.588 HD23 ' CD2' ' A' ' 90' ' ' PHE . 2.4 tm? -87.49 -57.72 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.592 ' O ' HD13 ' A' ' 101' ' ' ILE . 23.1 t -52.36 -18.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.2 p -95.93 -47.9 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.557 ' HA ' ' CG ' ' A' ' 102' ' ' LYS . 7.8 t60 -47.27 -50.52 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.795 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.7 mmt -51.48 -43.04 62.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.592 HD13 ' O ' ' A' ' 97' ' ' SER . 1.8 mp -73.19 -65.9 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.64 ' HG3' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -44.66 -33.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.823 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.64 HG23 ' HG3' ' A' ' 102' ' ' LYS . 4.1 p -105.21 -6.51 19.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER 48.1 52.41 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -89.56 -52.24 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CE1' ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -60.17 -23.2 63.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.979 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.512 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 6.5 mm100 -88.26 35.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -128.75 -36.32 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.2 m -48.73 -20.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 p -114.8 174.03 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 167.88 120.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 165.5 30.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -171.44 151.38 3.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.7 m -150.92 177.07 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -171.24 164.32 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 0.0 110.815 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -171.75 137.29 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.774 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.64 -145.39 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p -161.72 169.41 21.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -76.57 178.02 7.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.24 -168.23 13.74 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -111.72 122.41 47.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.78 6.34 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -109.38 150.92 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.82 -115.57 3.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.5 p -155.56 121.77 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.826 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.9 pt -70.83 169.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -106.46 156.42 18.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.1 m -150.45 112.62 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.18 131.59 1.53 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.22 171.12 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.0 p -115.39 82.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -41.8 -58.43 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 23.3 m-85 -113.52 154.26 27.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -148.06 122.53 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' LYS . 4.0 t -73.37 77.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' CYS . 8.6 tttm -35.91 -51.36 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -39.18 -70.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 32.0 p -90.95 177.92 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.3 p -93.44 39.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.67 160.07 30.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.93 169.04 18.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -145.84 154.91 42.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.38 -42.21 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.2 p -106.28 146.08 30.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 63.0 tp -66.47 -49.2 67.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.76 -18.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.52 -30.42 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 tp -78.69 -53.35 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.536 ' HA ' ' HE2' ' A' ' 39' ' ' MET . 34.0 p -42.05 -66.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.575 HG22 ' OE2' ' A' ' 41' ' ' GLU . 7.6 p -37.41 -37.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -78.15 -45.61 22.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.536 ' HE2' ' HA ' ' A' ' 36' ' ' THR . 54.9 mtm -58.08 -43.95 87.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -76.05 -28.7 57.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.575 ' OE2' HG22 ' A' ' 37' ' ' VAL . 25.6 mt-10 -69.9 -45.24 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.797 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.9 p -93.19 -30.29 15.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.149 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.12 -21.17 8.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.407 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 15.8 m170 -52.14 179.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.462 ' C ' ' SD ' ' A' ' 39' ' ' MET . 10.1 m-85 -152.1 174.26 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -48.16 177.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.862 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.55 -27.16 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -72.05 127.5 32.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.1 t30 -74.92 92.32 2.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.57 0.5 24.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.92 115.41 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 52' ' ' THR . 9.2 m -85.78 17.75 3.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -73.33 169.61 16.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -141.28 166.32 25.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -144.57 -175.24 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 15.7 t30 61.76 54.92 2.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.54 0.686 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 56' ' ' ASN . 53.7 Cg_endo -69.77 7.73 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt 51.04 47.61 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -86.95 88.1 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 -90.59 179.56 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 62' ' ' LYS . 53.9 p -160.43 154.54 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' SER . 3.6 ptmm? -36.7 155.15 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.54 0.686 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 62' ' ' LYS . 54.3 Cg_endo -69.7 -177.77 2.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -72.79 166.0 23.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -52.86 -179.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -41.19 142.54 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.589 ' C ' HD23 ' A' ' 68' ' ' LEU . 7.4 p -164.22 118.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.589 HD23 ' C ' ' A' ' 67' ' ' SER . 2.0 mt -107.36 66.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tp -127.91 91.48 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -134.8 93.68 3.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -110.24 143.38 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -137.31 169.41 17.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.5 -128.4 1.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -132.49 48.46 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.66 0.267 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -80.27 46.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -102.95 83.68 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.65 39.77 3.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 79' ' ' LYS . 72.6 mt-30 -127.97 -43.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 78' ' ' GLN . 45.3 tttm -37.19 -48.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 p -171.32 143.17 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.2 mt -65.68 81.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 89' ' ' SER . 1.3 ptmm? -129.62 130.89 46.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.499 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 2.6 t -55.31 147.32 17.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 14.9 ttm -85.65 -35.1 21.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.416 ' HB3' ' ND1' ' A' ' 105' ' ' HIS . 10.5 t80 -53.88 -63.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.4 p -94.54 -57.15 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.499 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 112.94 43.96 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.471 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 6.8 m170 -96.95 102.88 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.838 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 82' ' ' LYS . 4.7 t -60.91 136.58 58.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 88' ' ' HIS . 83.7 m-85 -125.22 168.53 13.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -92.78 -53.25 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.1 p -107.69 164.07 12.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 93' ' ' LEU . 0.5 OUTLIER -62.1 -42.72 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.489 ' O ' HG12 ' A' ' 98' ' ' VAL . 53.3 tp60 -47.8 -59.56 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.4 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.4 m-20 -45.33 -35.86 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -73.4 -49.08 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' HD12 ' A' ' 101' ' ' ILE . 1.8 t -60.72 -66.18 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 94' ' ' GLN . 13.8 p -42.0 -27.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -75.29 -50.45 16.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.518 ' HB3' ' CD1' ' A' ' 106' ' ' TYR . 5.2 mtt -47.03 -35.78 7.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.419 HD12 ' O ' ' A' ' 97' ' ' SER . 5.3 mp -87.11 -50.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -52.73 -25.32 10.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 66.7 p -116.49 -18.06 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.21 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.46 41.32 12.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.416 ' ND1' ' HB3' ' A' ' 85' ' ' TYR . 31.3 m170 -76.87 -52.9 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.852 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.518 ' CD1' ' HB3' ' A' ' 100' ' ' MET . 2.9 p90 -55.92 -38.89 70.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.509 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 14.7 mm-40 -39.98 -61.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -39.31 -34.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.76 51.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 t -148.32 176.21 10.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.58 118.11 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 176.25 7.01 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.351 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t -172.89 142.53 1.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 61.7 m -94.53 176.37 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.547 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 p -152.86 121.06 6.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.373 . . . . 0.0 110.85 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -120.44 177.16 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.91 -154.33 8.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -170.41 148.62 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.389 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 m -158.62 173.85 15.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.888 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.41 -174.83 36.15 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.442 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -166.44 129.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -117.87 135.41 54.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -87.81 152.88 21.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.57 -161.43 12.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.2 m -160.09 124.36 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.834 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.8 mt -98.65 134.68 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.23 128.5 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.588 ' O ' HG22 ' A' ' 15' ' ' THR . 22.9 m -111.28 39.7 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -41.27 123.48 2.72 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.434 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -161.7 158.1 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -156.83 136.54 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.782 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.7 -45.42 61.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 24.4 m-85 -110.78 154.84 23.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 20' ' ' PHE . 25.7 mtm180 -146.42 128.68 15.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' LYS . 13.2 t -85.26 84.64 7.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 22' ' ' CYS . 22.2 tptt -34.11 -55.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' LYS . 14.8 t0 -35.98 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' CYS . 26.4 p -90.26 179.39 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -96.98 37.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.65 165.05 12.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.3 161.79 39.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.049 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -141.36 149.49 41.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.74 -41.78 59.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.2 p -111.34 156.29 21.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 62.7 tp -71.83 -46.68 57.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -49.96 -32.63 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -76.51 -31.46 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 tp -78.1 -49.04 14.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' MET . 32.8 p -43.54 -66.12 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 38' ' ' HIS . 8.9 p -37.44 -41.47 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' N ' HG13 ' A' ' 37' ' ' VAL . 24.8 t60 -72.62 -42.3 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' GLY . 24.6 mtm -59.58 -49.08 79.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -65.15 -49.43 69.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.99 -66.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.7 p -72.2 -48.75 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 116.02 30.53 2.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.512 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 21.8 m170 -93.83 -174.5 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.828 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 18.2 m-85 -150.65 139.06 20.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 161.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -88.32 73.46 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -125.96 159.35 32.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -52.92 132.77 37.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -111.01 166.77 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -95.67 150.32 20.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 54' ' ' ASN . 22.0 m -71.07 149.2 46.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -134.02 40.67 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' H ' HG22 ' A' ' 52' ' ' THR . 4.0 m120 -89.37 150.49 22.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.39 139.07 52.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' ND2' ' H ' ' A' ' 56' ' ' ASN . 1.7 p30 -75.52 113.28 24.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.507 ' HB2' ' CD1' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.79 4.85 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 57' ' ' PRO . 18.9 ptmt -31.79 109.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' TRP . 0.0 OUTLIER 74.85 54.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.507 ' CD1' ' HB2' ' A' ' 57' ' ' PRO . 1.6 m-90 -36.95 146.56 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m -40.35 161.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.52 146.52 0.7 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.63 -178.7 2.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.53 126.37 38.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -142.57 175.88 9.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -172.84 166.84 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.467 ' O ' HD23 ' A' ' 68' ' ' LEU . 83.7 p -121.52 137.81 54.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.813 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 67' ' ' SER . 2.7 mt -115.56 69.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -91.39 82.53 5.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -134.91 69.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -104.16 27.97 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -106.59 140.66 39.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 156.87 73.42 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -133.72 123.7 25.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.698 0.285 . . . . 0.0 110.917 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 74' ' ' LYS . 10.4 pt-20 28.67 43.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' LYS . 12.9 p-10 -77.02 127.81 33.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 76' ' ' ASP . . . 68.15 53.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -100.58 52.01 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -48.94 -26.08 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 81' ' ' LEU . 7.3 p -115.08 157.17 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.496 ' N ' HG22 ' A' ' 80' ' ' VAL . 8.5 mt -63.43 109.79 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 87' ' ' GLY . 17.0 mttm -127.63 171.28 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 87' ' ' GLY . 7.7 t -114.2 112.25 22.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.2 mtm -49.43 -49.09 46.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.476 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 2.0 t80 -40.67 -70.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.7 p -99.93 -53.17 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 108.56 74.07 0.82 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -126.93 116.81 21.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.3 p -74.36 135.0 42.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 96.2 m-85 -123.99 153.66 40.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -79.58 -45.78 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.2 m -114.0 162.97 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -53.65 31.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.586 ' O ' HG23 ' A' ' 98' ' ' VAL . 52.2 tp60 -38.64 -38.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 16.6 m-20 -63.23 -48.31 78.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.696 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.7 tm? -63.17 -55.13 27.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.407 ' O ' HD12 ' A' ' 101' ' ' ILE . 57.0 m -48.53 -58.98 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 94' ' ' GLN . 86.6 t -49.29 -66.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.8 t60 -33.68 -53.32 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 104' ' ' LYS . 5.5 mtp -44.55 -53.63 6.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.407 HD12 ' O ' ' A' ' 97' ' ' SER . 4.7 mp -70.43 -42.97 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -51.11 -30.33 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.3 p -123.54 4.91 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 100' ' ' MET . 27.6 mttp 50.0 39.78 19.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -72.57 -32.0 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.682 ' O ' HG22 ' A' ' 109' ' ' VAL . 32.1 p90 -59.63 -53.13 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.552 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 3.3 tp60 -49.68 -18.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 108' ' ' LYS . 6.6 tmtt? -90.28 46.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 106' ' ' TYR . 27.1 m -125.57 110.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.3 p -152.48 170.9 19.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -166.73 127.06 1.53 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 130.75 20.0 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.719 2.279 . . . . 0.0 112.38 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.5 p -172.58 120.55 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.1 m -96.05 -47.15 6.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.38 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -132.97 110.7 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.847 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -173.62 146.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.61 105.82 0.7 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.569 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -102.62 130.33 49.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.902 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -155.1 147.65 24.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.39 -96.9 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -117.96 124.37 48.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.747 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -67.99 79.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -95.72 128.62 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.97 -164.07 15.95 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -125.15 105.29 9.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mt -67.35 128.09 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -61.28 -175.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -157.45 140.31 15.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.79 -178.42 35.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.29 140.47 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.729 0.299 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.512 ' OG ' ' HB1' ' A' ' 28' ' ' ALA . 8.2 t -164.02 116.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -76.31 -40.64 50.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 52.8 m-85 -132.51 176.32 8.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -151.41 173.76 14.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 25' ' ' CYS . 2.6 t -116.69 125.33 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 10.7 pttt -58.34 -40.13 81.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.2 m-20 -72.39 -76.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' CYS . 27.7 p -82.84 159.97 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -88.97 40.31 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.44 177.32 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.512 ' HB1' ' OG ' ' A' ' 18' ' ' SER . . . -156.64 161.39 39.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -139.9 171.04 14.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -92.86 -42.41 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.0 p -116.49 132.12 56.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.734 HD11 HG23 ' A' ' 36' ' ' THR . 0.2 OUTLIER -51.07 -62.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' LEU . 32.6 m -33.41 -37.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' LEU . 90.5 mt-10 -75.27 -50.48 15.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' LEU . 17.9 tp -52.58 -56.81 12.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.734 HG23 HD11 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -40.13 -54.46 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.0 t -41.16 -60.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -53.7 -44.4 69.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 29.2 mtm -58.6 -46.63 86.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -58.75 3.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -47.17 -63.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.9 p -66.73 -52.16 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.43 -20.55 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.419 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.499 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 17.6 m170 -55.29 -175.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -164.01 172.02 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -69.79 157.49 37.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.68 -44.81 10.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.24 15.09 3.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -53.91 158.93 1.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -81.07 109.93 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -114.18 171.01 7.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.7 p -60.84 154.06 22.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.43 124.36 22.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -46.51 -55.54 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 60.92 40.38 15.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' OD1' ' HD2' ' A' ' 57' ' ' PRO . 9.4 t30 -57.73 130.0 81.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD2' ' OD1' ' A' ' 56' ' ' ASN . 54.1 Cg_endo -69.78 1.4 4.48 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.677 2.251 . . . . 0.0 112.391 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 48.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.949 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 60' ' ' TRP . 25.3 ttt85 -76.76 154.21 34.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.463 ' N ' ' HG2' ' A' ' 59' ' ' ARG . 10.6 m95 -89.21 177.96 6.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 p -115.54 171.86 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.88 158.47 37.64 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.549 0.69 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -178.81 2.53 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.262 . . . . 0.0 112.307 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 2.8 tmm_? -101.17 148.36 25.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 23.9 mttt -51.24 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -120.83 177.27 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' ARG . 66.2 m -36.85 145.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.61 30.6 5.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -45.07 128.99 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -94.77 126.14 39.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -96.83 122.25 39.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -92.08 152.28 20.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -115.08 -120.02 3.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.05 80.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -105.7 157.59 17.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -160.3 169.72 22.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.12 46.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -113.82 165.17 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -128.48 26.06 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.975 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 90' ' ' PHE . 4.2 p -171.65 145.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.087 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.0 mt -49.55 134.32 19.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 89' ' ' SER . 3.0 tptt -137.29 132.84 34.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.45 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 13.7 t -55.19 129.1 36.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.8 mtm -74.57 7.37 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -123.93 -58.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 87' ' ' GLY . 15.6 p -108.75 17.72 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 86' ' ' CYS . . . 32.07 68.94 0.13 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.49 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.514 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 2.6 t-160 -106.72 120.91 43.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.477 ' N ' ' HE3' ' A' ' 82' ' ' LYS . 25.2 p -61.7 144.97 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.656 ' CD2' HD23 ' A' ' 96' ' ' LEU . 90.9 m-85 -137.3 171.97 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -98.82 -47.04 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m -130.58 166.23 21.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.808 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -57.48 -59.16 5.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -37.77 -47.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -56.73 -39.7 74.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.756 HD13 ' C ' ' A' ' 96' ' ' LEU . 2.2 tm? -71.8 -51.83 20.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.2 t -54.84 -38.0 66.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.501 HG12 ' HG3' ' A' ' 102' ' ' LYS . 23.7 t -71.98 -65.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.483 ' C ' ' O ' ' A' ' 98' ' ' VAL . 18.4 t60 -31.71 -57.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 104' ' ' LYS . 17.6 mmm -43.56 -64.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.2 mt -58.26 -40.86 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.501 ' HG3' HG12 ' A' ' 98' ' ' VAL . 20.0 mmtt -57.58 -34.86 69.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.6 p -111.94 9.62 20.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 100' ' ' MET . 30.9 mttt 48.95 43.67 21.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -83.79 -27.0 29.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.592 ' CE1' ' HB2' ' A' ' 107' ' ' GLN . 12.2 p90 -66.28 -38.31 87.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.592 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 46.1 tp60 -98.56 52.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -129.84 -44.8 1.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.962 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 109' ' ' VAL . 33.5 m -37.13 112.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 p 44.57 45.05 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -125.34 127.4 6.24 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.448 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 167.85 23.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.296 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.5 t -105.16 -48.94 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.9 m -53.87 153.69 4.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -163.07 158.36 21.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.936 0.398 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -153.8 173.37 15.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.4 139.84 3.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m -119.22 146.89 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.362 . . . . 0.0 110.852 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m -82.07 165.57 20.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.28 158.26 14.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -150.04 153.0 35.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mt -132.99 162.34 31.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -128.21 172.48 10.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.66 -134.64 2.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -129.53 107.13 9.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 0.0 110.834 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.6 pt -88.27 141.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -97.8 150.84 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' GLY . 38.4 m -116.55 110.39 18.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' THR . . . 37.15 82.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.556 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.9 167.39 15.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -174.89 129.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.43 -54.06 45.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.581 ' HB3' HD22 ' A' ' 35' ' ' LEU . 60.3 m-85 -103.1 140.57 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -136.52 119.27 16.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' LYS . 8.3 t -77.27 81.46 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' ASP . 7.1 ttpp -36.85 -54.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.2 m-20 -34.38 -61.93 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 28.8 p -101.69 -175.71 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -100.8 39.81 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.25 173.53 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.25 167.75 29.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -147.61 159.2 44.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.6 -46.28 9.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -109.99 142.65 41.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 18.0 tp -58.13 -46.65 85.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -47.02 -20.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -91.2 -46.5 8.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 20' ' ' PHE . 15.8 tp -63.73 -51.38 65.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.493 HG23 ' HG ' ' A' ' 32' ' ' LEU . 14.9 p -42.59 -63.48 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.1 t -43.06 -43.9 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -67.59 -41.99 83.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 43' ' ' GLY . 51.7 mtm -54.86 -45.39 74.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -79.98 -45.31 18.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.54 -37.67 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.9 p -102.1 -42.74 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.226 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 131.73 -36.06 2.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 8.8 m170 -43.78 167.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -135.12 -177.98 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -55.45 161.5 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.441 ' C ' ' OD1' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -112.33 34.05 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -105.04 163.19 12.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.96 153.42 25.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -93.71 144.13 25.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -95.72 168.51 10.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.2 p -70.0 175.01 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.224 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -38.78 134.92 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.426 ' O ' ' N ' ' A' ' 56' ' ' ASN . 1.2 p-10 -49.53 -47.47 48.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -47.53 92.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASN . 29.4 m-20 -129.47 159.93 66.9 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.638 0.732 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.539 ' O ' ' C ' ' A' ' 58' ' ' LYS . 54.0 Cg_endo -69.67 10.49 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.737 2.292 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.539 ' C ' ' O ' ' A' ' 57' ' ' PRO . 9.5 ttmt -25.03 102.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 60' ' ' TRP . 0.6 OUTLIER -52.49 173.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.819 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.482 ' C ' ' O ' ' A' ' 59' ' ' ARG . 4.1 t-105 -31.08 117.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.35 118.35 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -175.7 154.73 1.55 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.98 29.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -65.17 178.64 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -42.14 164.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -46.48 162.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.1 m -86.98 174.89 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.452 ' O ' HD23 ' A' ' 68' ' ' LEU . 5.4 tt -128.15 76.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 68' ' ' LEU . 4.1 mm? -35.15 141.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 71' ' ' MET . 34.5 mp0 -122.38 93.47 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 70' ' ' GLU . 33.3 mmt -34.69 141.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -92.96 -76.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.513 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -161.93 120.98 0.98 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.551 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 73' ' ' GLY . 17.7 mmtp 28.78 53.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.956 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -94.13 38.09 1.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.481 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 8.0 t70 -108.29 177.12 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 76' ' ' ASP . . . 71.14 44.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -110.83 40.17 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -116.3 -40.4 3.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' LEU . 7.2 p -133.42 145.16 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' VAL . 19.5 mt -36.32 109.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -134.15 139.79 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' GLY . 16.6 t -90.73 107.49 19.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.6 ttp -53.51 -44.18 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.417 ' CD1' ' CD2' ' A' ' 105' ' ' HIS . 17.2 t80 -41.54 -70.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 26.6 p -93.5 -48.97 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 105.15 58.74 0.66 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -120.89 117.42 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.2 p -72.81 132.65 43.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 94.1 m-85 -114.84 -175.55 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.72 -43.18 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.6 m -115.4 154.11 29.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -59.28 -55.3 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.564 ' O ' HG23 ' A' ' 98' ' ' VAL . 35.9 tp60 -36.01 -48.33 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.508 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.6 OUTLIER -57.51 -53.52 57.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 96' ' ' LEU . 1.8 tm? -59.11 -50.44 74.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.2 m -54.26 -52.52 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 94' ' ' GLN . 98.1 t -62.85 -69.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.6 t60 -33.25 -40.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.0 mmt -58.32 -68.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.475 HD12 ' H ' ' A' ' 101' ' ' ILE . 3.7 mp -56.55 -40.26 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -53.75 -38.45 64.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 78.7 p -114.69 11.6 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 100' ' ' MET . 2.6 mppt? 47.72 36.65 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.417 ' CD2' ' CD1' ' A' ' 85' ' ' TYR . 24.8 m170 -74.33 -19.82 60.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.404 ' CE1' ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -76.01 5.14 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.795 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.404 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 10.9 mm100 -119.64 -172.9 2.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? 64.12 26.13 13.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.9 m -106.31 171.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 95.2 p -87.07 101.36 13.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.96 111.53 0.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -177.84 2.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.745 2.297 . . . . 0.0 112.345 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.3 m -154.61 158.8 40.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 p -170.48 168.81 7.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.809 0.337 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.454 ' HB3' HD22 ' A' ' 35' ' ' LEU . 36.5 m-85 -107.07 161.12 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -145.62 151.24 37.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 51.6 t -97.52 136.81 37.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -71.0 -61.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.506 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.4 m-20 -43.95 -73.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.13 178.05 5.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.0 m -102.25 40.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.81 109.51 21.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.057 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.64 156.32 16.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -134.25 172.62 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -102.18 -42.57 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.407 ' HB ' HG12 ' A' ' 33' ' ' VAL . 71.4 p -108.18 136.44 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 56.9 tp -57.58 -41.09 80.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 37' ' ' VAL . 6.2 p -53.85 -25.71 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -84.96 -41.04 16.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.454 HD22 ' HB3' ' A' ' 20' ' ' PHE . 17.8 tp -63.79 -57.43 9.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.9 p -42.16 -50.68 4.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.422 HG12 ' OE1' ' A' ' 41' ' ' GLU . 54.8 t -48.21 -43.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -71.9 -41.85 67.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 8.4 mtm -54.64 -35.91 63.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -90.94 -47.85 7.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' OE1' HG12 ' A' ' 37' ' ' VAL . 27.9 mt-10 -49.0 -55.11 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.3 p -88.92 -40.5 13.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.61 -29.18 4.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.506 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 14.1 m170 -47.37 174.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 0.0 110.805 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.94 0.4 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -145.08 128.84 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 85' ' ' TYR . 47.7 t -72.05 131.39 42.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.5 ttp -78.11 -19.86 53.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.419 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 3.8 t80 -71.67 -60.76 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.0 p -95.1 -54.38 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 104.06 71.83 0.87 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.481 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 5.9 t-160 -139.3 106.68 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 m -57.52 149.11 21.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 97.7 m-85 -130.92 175.24 9.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -106.22 -47.34 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -112.91 160.92 17.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 30.6 mt -60.41 -55.13 37.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.63 ' O ' HG12 ' A' ' 98' ' ' VAL . 43.6 tp60 -37.78 -60.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.488 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 4.0 m-20 -41.82 -41.64 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.587 HD13 ' C ' ' A' ' 96' ' ' LEU . 2.0 tm? -72.75 -54.15 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.6 m -57.97 -62.36 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.8 p -48.12 -21.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -83.78 -47.76 10.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.487 ' HG3' HD13 ' A' ' 96' ' ' LEU . 5.8 mtp -51.44 -30.73 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 17.5 mt -88.76 -53.56 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.525 ' HD2' HG22 ' A' ' 98' ' ' VAL . 8.8 mtpm? -54.51 -22.65 13.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.1 p -116.24 -14.42 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 53.49 46.37 26.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -81.77 -34.03 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.5 p90 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.89 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.729 ' HB3' HD22 ' A' ' 35' ' ' LEU . 40.4 m-85 -82.59 145.26 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 mtp85 -135.78 131.33 35.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.33 144.54 31.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ASP . 12.9 tttm -78.57 -65.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.491 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.3 m-20 -34.52 -65.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.8 p -100.36 -175.19 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.7 p -107.97 47.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.38 168.06 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -155.23 140.34 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -123.45 166.55 15.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.0 -40.68 10.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 p -108.86 135.65 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.7 tp -57.91 -49.03 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 34' ' ' GLU . 10.0 p -45.07 -40.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.232 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 33' ' ' VAL . 7.1 mt-10 -72.59 -39.77 67.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 20' ' ' PHE . 28.9 tp -65.13 -60.92 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 7.9 p -37.11 -43.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 33' ' ' VAL . 73.2 t -56.01 -55.76 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -58.34 -31.25 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.7 mtm -68.03 -55.09 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -69.46 -29.64 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -71.01 -68.45 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.1 p -74.18 2.2 9.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.41 -31.71 4.08 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 42.4 m170 -43.74 159.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.828 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.558 ' CD1' ' C ' ' A' ' 92' ' ' SER . 10.9 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.916 0.389 . . . . 0.0 110.96 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 89' ' ' SER . 2.1 tptp -141.37 140.86 33.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 19.0 t -74.54 158.21 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 2.3 mpt? -97.4 -38.89 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.427 ' CD1' ' C ' ' A' ' 85' ' ' TYR . 4.5 t80 -63.4 -61.82 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 29.8 p -102.42 -49.41 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 100.39 81.96 1.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.562 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 7.0 m170 -122.61 126.42 47.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.35 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.479 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 80.6 p -74.04 114.74 12.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.562 ' CE2' ' O ' ' A' ' 88' ' ' HIS . 41.2 m-85 -107.65 140.86 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -63.68 -32.84 74.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.558 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 53.8 p -154.41 165.49 36.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -50.92 -46.43 60.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' LEU . 25.2 tp60 -35.89 -65.14 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.0 -42.81 80.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -52.28 -57.22 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.8 m -52.58 -61.24 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.04 -50.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.72 -45.48 94.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 104' ' ' LYS . 9.1 mtt -59.08 -51.58 69.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.51 -48.95 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -61.43 -64.31 0.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.4 p -66.82 -20.94 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' MET . 6.5 mmtp 62.97 53.13 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.409 ' ND1' ' HB3' ' A' ' 85' ' ' TYR . 34.8 m170 -95.22 -33.77 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.4 p90 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.883 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.838 0.352 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 61.2 m-85 -113.93 161.02 18.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -149.94 127.08 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.71 135.51 41.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -71.87 -64.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -44.82 -66.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 27' ' ' ALA . 14.6 p -96.97 155.68 16.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -84.46 36.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.536 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . . . -99.7 127.25 45.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.56 155.68 27.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -134.45 159.42 41.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.491 ' OD2' HG23 ' A' ' 31' ' ' THR . 5.7 p-10 -77.77 -48.05 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.491 HG23 ' OD2' ' A' ' 30' ' ' ASP . 61.6 p -112.72 143.63 43.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' LEU . 21.5 tp -52.91 -49.9 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 34' ' ' GLU . 33.7 m -40.27 -44.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.491 ' N ' HG23 ' A' ' 33' ' ' VAL . 57.7 mt-10 -68.35 -33.96 75.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' LEU . 24.6 tp -71.74 -53.2 14.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.446 HG23 ' HG ' ' A' ' 32' ' ' LEU . 39.4 p -48.76 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 p -36.82 -33.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' THR . 8.9 t60 -82.78 -45.24 14.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' THR . 38.0 mtm -56.5 -43.11 79.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -71.25 -51.33 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -51.11 -66.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.6 p -70.1 -48.97 55.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.64 27.75 2.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.508 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 14.8 m170 -90.21 -175.34 4.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 24.2 m-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.9 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.958 0.409 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -145.73 145.0 30.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 87' ' ' GLY . 41.8 t -91.87 108.55 20.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 7.5 tpp -49.88 -40.42 42.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.418 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 5.2 t80 -52.54 -72.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 23.1 p -92.0 -50.89 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 100.25 57.67 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -108.63 100.76 9.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -55.87 137.86 49.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.649 ' CD1' ' CG ' ' A' ' 95' ' ' ASP . 61.0 m-85 -129.92 169.21 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -96.47 -47.15 6.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.7 p -119.28 162.5 18.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.6 tp -61.29 -38.27 86.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -39.8 -58.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.649 ' CG ' ' CD1' ' A' ' 90' ' ' PHE . 6.5 t0 -53.3 -56.52 15.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.48 HD13 ' HG3' ' A' ' 100' ' ' MET . 2.6 tm? -52.38 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.463 ' O ' HD12 ' A' ' 101' ' ' ILE . 6.7 t -42.09 -69.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.593 HG12 ' HE2' ' A' ' 102' ' ' LYS . 92.5 t -44.68 -55.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -46.61 -50.65 17.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.48 ' HG3' HD13 ' A' ' 96' ' ' LEU . 4.3 mtt -47.8 -46.32 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.485 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 4.7 mp -74.89 -60.0 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.593 ' HE2' HG12 ' A' ' 98' ' ' VAL . 22.3 mtmt -41.37 -46.92 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.551 ' HB ' ' CD2' ' A' ' 105' ' ' HIS . 78.6 p -93.06 -13.82 28.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' ' 101' ' ' ILE . 3.1 mppt? 54.85 38.25 29.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.551 ' CD2' ' HB ' ' A' ' 103' ' ' THR . 26.4 m170 -67.43 -53.71 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.1 p90 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.828 0.347 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CD2' HD13 ' A' ' 32' ' ' LEU . 54.5 m-85 -119.85 157.77 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -137.29 175.76 9.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 24' ' ' ASP . 8.9 t -126.09 90.39 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.6 ttpt -33.87 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' CYS . 5.4 t70 -72.21 -70.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 22' ' ' CYS . 30.2 p -101.49 152.89 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -78.35 42.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.65 120.66 42.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.57 160.52 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -136.34 147.27 47.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.83 -40.52 97.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.3 p -121.73 153.51 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 20' ' ' PHE . 45.9 tp -64.58 -49.27 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 34' ' ' GLU . 7.4 p -44.1 -45.69 2.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.603 ' O ' HG12 ' A' ' 37' ' ' VAL . 6.5 mm-40 -63.31 -28.81 70.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.425 HD23 HD12 ' A' ' 32' ' ' LEU . 17.3 tp -81.36 -53.01 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 p -46.01 -43.17 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 34' ' ' GLU . 10.2 p -58.84 -30.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.31 -40.03 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.421 ' SD ' ' C ' ' A' ' 45' ' ' TYR . 27.5 mtm -57.44 -38.54 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -82.5 -43.76 16.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -55.11 -57.86 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.7 p -80.63 -45.93 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.36 -27.87 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -45.78 163.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.421 ' C ' ' SD ' ' A' ' 39' ' ' MET . 4.3 m-85 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.74 HD13 ' HA ' ' A' ' 93' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.849 0.356 . . . . 0.0 110.854 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -146.92 154.76 41.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' A' ' 87' ' ' GLY . 27.1 t -102.27 103.84 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.8 ttm -54.2 -44.18 71.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.408 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 2.4 t80 -39.25 -65.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.9 p -102.52 -49.38 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 110.83 82.89 1.33 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.544 ' O ' ' CE1' ' A' ' 90' ' ' PHE . 15.7 m-70 -141.18 109.88 6.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.0 p -75.95 138.96 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.544 ' CE1' ' O ' ' A' ' 88' ' ' HIS . 79.6 m-85 -125.16 -175.6 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -108.7 -44.42 4.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.549 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -115.68 146.66 41.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.74 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -52.45 -45.93 66.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -44.7 -49.63 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.26 -47.81 84.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 81' ' ' LEU . 60.8 tp -58.46 -56.59 20.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.61 -61.11 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.0 t -39.25 -62.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.508 ' CD2' ' N ' ' A' ' 100' ' ' MET . 6.1 t60 -47.12 -65.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.508 ' N ' ' CD2' ' A' ' 99' ' ' HIS . 55.2 mtp -41.98 -32.12 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 21.4 mt -79.94 -60.11 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.11 -49.58 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 p -79.47 12.31 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.09 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.35 37.24 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -82.28 -29.84 30.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.825 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.2 p90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.872 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.404 ' HB3' HD22 ' A' ' 35' ' ' LEU . 37.4 m-85 -111.34 137.31 49.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -129.37 138.84 51.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.0 t -79.76 140.28 36.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -63.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.491 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.9 m-20 -48.47 -69.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.7 p -96.99 178.16 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -100.68 41.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.45 109.9 22.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.01 156.35 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.533 ' CD2' ' HA ' ' A' ' 35' ' ' LEU . 67.1 m-85 -140.44 157.57 45.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.48 -47.58 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -113.06 151.9 30.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.59 -42.35 96.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -49.75 -24.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.507 ' O ' HG12 ' A' ' 37' ' ' VAL . 8.4 mm-40 -87.92 -34.87 17.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.533 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 25.4 tp -73.28 -56.08 5.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.6 p -45.81 -56.45 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 34' ' ' GLU . 7.7 p -46.83 -30.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -82.92 -38.17 23.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.8 mtm -60.69 -29.46 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -89.5 -54.18 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -44.22 -55.47 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.7 p -89.48 -43.89 10.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.97 -27.03 4.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 36.4 m170 -43.8 165.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.813 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 96' ' ' LEU . 7.5 mt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.894 0.378 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.423 ' C ' HD21 ' A' ' 96' ' ' LEU . 27.2 ttpp -133.7 158.9 42.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 87' ' ' GLY . 51.6 t -97.32 112.22 24.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 7.2 tpp -51.6 -39.63 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.448 ' CD1' ' CE1' ' A' ' 105' ' ' HIS . 3.1 t80 -50.75 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.996 0.427 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' A' ' 88' ' ' HIS . 2.7 p -83.83 -57.77 3.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 108.46 60.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.438 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.499 ' O ' ' CD2' ' A' ' 88' ' ' HIS . 0.4 OUTLIER -131.15 97.11 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 93.9 p -70.23 126.92 31.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.411 ' CD2' HD22 ' A' ' 96' ' ' LEU . 70.0 m-85 -104.47 162.82 12.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -98.51 21.23 11.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -156.22 132.84 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.529 ' O ' HD23 ' A' ' 93' ' ' LEU . 2.1 tt -57.78 -32.93 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 98' ' ' VAL . 16.7 tp60 -66.8 -42.28 86.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -59.92 -38.64 82.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -77.17 -68.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 m -43.7 -38.48 3.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 94' ' ' GLN . 11.4 t -61.92 -67.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.401 ' CE1' ' HE1' ' A' ' 88' ' ' HIS . 13.2 t60 -44.72 -53.16 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.467 ' HG2' HD13 ' A' ' 96' ' ' LEU . 4.3 mmt -39.78 -42.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.7 mt -86.59 -61.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.419 ' HG3' HG13 ' A' ' 98' ' ' VAL . 7.1 mtpt -40.52 -33.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.3 p -107.8 -19.1 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.44 40.49 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.448 ' CE1' ' CD1' ' A' ' 85' ' ' TYR . 4.0 m170 -72.5 -52.1 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.7 p90 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.824 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.749 0.309 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 61.5 m-85 -92.4 166.3 12.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.553 ' HG2' ' HB2' ' A' ' 28' ' ' ALA . 88.9 mtt180 -152.53 154.97 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -100.67 135.76 41.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.49 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.534 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 2.6 m-20 -44.79 -69.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.7 p -94.29 -177.65 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -109.32 43.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.27 111.67 24.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.553 ' HB2' ' HG2' ' A' ' 21' ' ' ARG . . . -99.97 160.67 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -141.96 155.41 45.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.81 -47.87 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 p -113.58 155.46 25.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 10.8 tp -63.0 -48.11 80.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -43.16 -37.27 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.81 -37.53 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.9 tp -73.72 -54.88 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.487 HG23 ' HG ' ' A' ' 32' ' ' LEU . 25.1 p -42.15 -67.3 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 38' ' ' HIS . 7.3 p -37.51 -43.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 37' ' ' VAL . 6.7 t60 -70.26 -47.2 62.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 31.7 mtm -50.26 -41.09 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -82.76 -43.45 16.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -50.64 -44.69 57.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.9 p -98.87 -47.65 5.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.05 -36.58 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 12.0 m170 -38.4 156.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.973 -179.862 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -132.08 154.34 49.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 20.2 t -90.46 154.64 19.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.4 mtp -99.48 -33.87 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -62.09 -59.39 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 29.4 p -102.29 -50.1 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 102.84 68.72 0.8 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 6.1 t60 -115.19 136.97 52.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.8 p -88.99 120.16 30.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.574 ' CD1' HD23 ' A' ' 96' ' ' LEU . 15.9 m-85 -111.75 177.22 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 92' ' ' SER . 11.6 pt-20 -110.69 -48.27 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -109.27 149.25 29.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.416 ' O ' HD23 ' A' ' 93' ' ' LEU . 2.1 tt -52.84 -45.86 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.861 ' O ' HG12 ' A' ' 98' ' ' VAL . 0.4 OUTLIER -44.64 -61.28 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.404 ' HA ' ' CG1' ' A' ' 98' ' ' VAL . 14.5 m-20 -44.75 -27.98 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.574 HD23 ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -80.82 -61.52 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 t -52.8 -31.97 41.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.1 p -82.06 -39.32 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -57.17 -58.37 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.8 mmt -50.26 -63.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 83.8 mt -48.02 -39.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -62.77 -47.68 82.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 104' ' ' LYS . 66.0 p -101.45 24.06 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 103' ' ' THR . 15.0 ttpt 33.11 50.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -84.9 -37.56 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.6 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.836 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 mptt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.79 0.328 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 58.1 m-85 -108.43 165.86 11.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -150.38 150.51 31.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.39 138.59 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -77.18 -65.15 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -40.35 -67.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.3 p -103.59 -177.8 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -103.57 40.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.55 107.48 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.27 166.73 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -141.19 159.05 43.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.31 -43.12 21.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.3 p -113.03 145.41 40.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 65.4 tp -61.57 -53.14 60.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 34' ' ' GLU . 34.3 m -40.76 -39.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 33' ' ' VAL . 25.9 mm-40 -72.62 -42.19 64.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.28 -57.0 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 p -38.22 -58.88 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.475 HG12 ' OE1' ' A' ' 41' ' ' GLU . 55.3 t -43.5 -50.67 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.435 ' HA ' ' CD ' ' A' ' 41' ' ' GLU . 26.8 t60 -64.05 -34.92 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.4 mtm -63.21 -37.98 89.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -88.78 -56.12 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.61 ' CG ' HG23 ' A' ' 42' ' ' THR . 6.8 pt-20 -39.84 -39.94 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.61 HG23 ' CG ' ' A' ' 41' ' ' GLU . 33.3 p -102.83 -36.49 8.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.23 -21.87 9.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.424 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 43.1 m170 -47.25 164.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.823 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.59 HD13 ' HA ' ' A' ' 93' ' ' LEU . 15.4 mt . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.881 0.372 . . . . 0.0 110.956 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.509 ' HD3' ' N ' ' A' ' 89' ' ' SER . 3.5 tppp? -143.87 146.35 32.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' GLY . 41.9 t -91.67 107.3 19.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 15.2 ttm -51.86 -46.21 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.421 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 7.4 t80 -40.66 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.3 p -91.86 -51.87 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 115.92 54.24 0.36 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.498 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 90' ' ' PHE . 13.0 m-70 -108.4 119.07 38.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.509 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 69.7 p -91.53 107.64 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.621 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 68.5 m-85 -104.22 133.24 49.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.02 -42.58 97.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.7 m -98.06 140.51 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.59 ' HA ' HD13 ' A' ' 81' ' ' LEU . 39.7 tp -56.41 -45.96 80.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.765 ' O ' HG12 ' A' ' 98' ' ' VAL . 70.4 tp60 -48.53 -44.21 36.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.621 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.8 m-20 -59.83 -49.45 77.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -59.11 -49.52 77.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 100' ' ' MET . 21.0 t -67.1 -69.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.765 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.2 p -37.52 -30.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' SER . 2.2 t60 -66.33 -46.19 77.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' SER . 6.0 mtt -67.41 -22.45 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 12.0 mm -77.06 -30.95 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -89.4 -56.29 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.6 p -70.37 -14.36 62.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 6.2 mptt 55.85 54.23 8.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -91.11 -45.32 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.815 0.34 . . . . 0.0 110.839 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE2' HD13 ' A' ' 32' ' ' LEU . 87.5 m-85 -107.64 149.23 28.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -141.23 117.31 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 44' ' ' HIS . 24.8 t -63.37 125.42 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -86.34 25.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 -56.61 1.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.6 p -106.03 177.49 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.2 t -91.5 41.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.53 149.71 42.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.08 139.84 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -116.95 168.46 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -95.47 -43.55 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.793 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.0 p -101.13 156.57 17.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.597 HD13 ' CE2' ' A' ' 20' ' ' PHE . 39.5 tp -74.98 -41.38 59.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.444 HG13 ' OE2' ' A' ' 34' ' ' GLU . 2.8 p -53.43 -41.78 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' OE2' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -69.55 -34.21 73.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 20' ' ' PHE . 20.7 tp -70.64 -61.97 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' VAL . 45.3 p -38.81 -68.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 36' ' ' THR . 7.4 p -35.54 -40.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.412 ' N ' HG13 ' A' ' 37' ' ' VAL . 6.4 t60 -74.47 -48.07 29.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' GLY . 41.4 mtm -56.65 -45.49 81.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -68.35 -51.46 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -54.77 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.6 p -71.46 -32.81 68.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.173 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 98.42 27.57 8.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 22' ' ' CYS . 62.4 m170 -91.87 -178.94 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.334 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.843 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 150.15 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 87' ' ' GLY . 34.7 t -100.92 103.34 14.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -54.64 -48.33 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.632 ' CE1' ' CD2' ' A' ' 105' ' ' HIS . 4.0 t80 -34.26 -67.93 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 105' ' ' HIS . 28.0 p -101.37 -49.28 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 111.88 73.29 0.67 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.446 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -131.49 150.14 52.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.1 p -100.88 155.46 17.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.636 ' CD1' HD23 ' A' ' 96' ' ' LEU . 63.8 m-85 -150.16 172.22 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -96.62 -57.98 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -110.92 171.59 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' LEU . 16.8 mt -65.96 -53.06 43.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 98' ' ' VAL . 40.4 tp60 -36.94 -51.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.89 -41.48 78.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.636 HD23 ' CD1' ' A' ' 90' ' ' PHE . 2.7 tm? -68.13 -54.56 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.5 m -51.94 -52.3 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 94' ' ' GLN . 80.9 t -53.45 -58.95 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -46.74 -52.01 14.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.47 ' HG3' HD13 ' A' ' 96' ' ' LEU . 5.2 mmm -56.78 -71.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.0 mt -44.05 -37.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -70.31 -35.24 73.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 78.6 p -105.53 15.99 26.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' MET . 87.1 mttt 42.25 42.77 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.632 ' CD2' ' CE1' ' A' ' 85' ' ' TYR . 22.0 m170 -85.92 -30.49 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mptt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.831 0.348 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -109.73 155.22 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -141.29 132.43 26.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.8 t -85.64 74.99 10.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 24' ' ' ASP . 10.9 tptm -31.98 -62.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 23' ' ' LYS . 2.7 m-20 -30.09 -60.71 0.17 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' CYS . 29.1 p -106.17 -173.69 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 m -100.48 39.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.2 158.7 24.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.1 159.87 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.422 ' CD2' ' HA ' ' A' ' 35' ' ' LEU . 98.7 m-85 -138.96 166.92 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.21 -39.18 18.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.6 p -114.31 151.88 32.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.601 ' O ' HG22 ' A' ' 36' ' ' THR . 37.4 tp -64.95 -50.02 68.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.2 m -49.73 -29.99 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -81.75 -22.97 36.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 28.6 tp -86.84 -57.24 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 37' ' ' VAL . 1.3 t -44.12 -59.29 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.652 ' H ' HG23 ' A' ' 36' ' ' THR . 11.8 p -39.2 -28.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' THR . 10.3 t60 -91.55 -37.9 12.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' THR . 51.7 mtm -68.89 -51.44 40.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -60.82 -38.51 85.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.94 -68.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.7 p -63.54 -48.04 79.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.192 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.57 -23.81 2.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -51.0 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.869 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.711 HD13 ' HA ' ' A' ' 93' ' ' LEU . 9.1 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.913 0.387 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.425 ' HG3' ' C ' ' A' ' 88' ' ' HIS . 18.8 ttpt -84.82 167.58 15.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 85' ' ' TYR . 44.8 t -111.66 127.04 55.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.4 ttp -66.27 -28.73 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.437 ' CB ' ' HB3' ' A' ' 105' ' ' HIS . 22.0 t80 -63.7 -72.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.622 ' SG ' ' CE1' ' A' ' 88' ' ' HIS . 3.1 p -82.7 -59.48 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.45 68.25 0.57 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.451 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.622 ' CE1' ' SG ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -135.39 107.02 6.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.0 p -63.36 123.79 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.471 ' CE2' ' CD2' ' A' ' 88' ' ' HIS . 35.5 m-85 -108.2 -173.68 2.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -132.1 -31.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.2 m -103.41 123.96 47.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.711 ' HA ' HD13 ' A' ' 81' ' ' LEU . 12.3 tp -51.01 -33.95 27.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.686 ' O ' HG23 ' A' ' 98' ' ' VAL . 9.7 tp60 -62.66 -44.91 95.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.13 -33.97 67.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.577 HD13 ' C ' ' A' ' 96' ' ' LEU . 3.0 tm? -86.29 -65.13 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.477 ' O ' HD13 ' A' ' 101' ' ' ILE . 28.5 t -43.91 -28.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 94' ' ' GLN . 97.1 t -85.62 -64.87 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.411 ' CE1' ' HE1' ' A' ' 88' ' ' HIS . 7.1 t60 -37.09 -52.14 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 104' ' ' LYS . 30.5 mmm -43.56 -54.19 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 97' ' ' SER . 2.4 mp -71.74 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -38.38 -42.38 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.1 p -99.09 -18.61 17.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.3 OUTLIER 63.83 38.28 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 85' ' ' TYR . 11.6 m170 -65.79 -47.86 73.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 10.1 p90 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -179.842 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.856 0.36 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 30.0 m-85 -102.9 167.72 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -148.41 151.24 34.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -102.65 130.64 49.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -65.03 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.452 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . 13.5 t0 -43.52 -69.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.8 164.56 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 t -95.04 40.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.61 121.01 44.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.27 163.73 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -138.59 159.39 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -82.75 -45.25 14.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -109.02 150.36 27.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 34.9 tp -66.92 -50.81 61.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.8 m -46.95 -28.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.92 -35.55 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 tp -75.94 -49.93 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' MET . 33.3 p -46.4 -65.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.582 HG22 ' OE2' ' A' ' 41' ' ' GLU . 13.1 p -41.17 -31.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -83.27 -36.7 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.456 ' N ' ' O ' ' A' ' 36' ' ' THR . 34.1 mtm -62.8 -44.79 95.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -74.3 -39.51 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.582 ' OE2' HG22 ' A' ' 37' ' ' VAL . 19.6 mt-10 -56.84 -61.41 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.9 p -81.52 -38.8 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.76 23.64 5.55 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.543 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 41.4 m170 -88.41 -174.28 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 21.9 m-85 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.6 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.943 0.401 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -92.37 159.55 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.431 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 11.8 t -93.63 143.83 25.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.7 ttp -83.48 -34.41 25.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.639 ' CD2' ' CE1' ' A' ' 105' ' ' HIS . 35.2 t80 -68.88 -75.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.96 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.509 ' N ' ' CD2' ' A' ' 85' ' ' TYR . 29.8 p -90.65 -47.71 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 98.97 91.42 2.01 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.41 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 6.6 t-160 -131.08 104.98 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.1 p -62.44 142.1 58.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.5 ' CD1' ' CG ' ' A' ' 95' ' ' ASP . 78.4 m-85 -136.04 -178.76 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.37 -45.86 3.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.7 p -113.29 143.82 43.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.612 ' HA ' HD13 ' A' ' 81' ' ' LEU . 13.7 tp -50.37 -44.28 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' LEU . 48.2 tp60 -36.16 -55.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.5 ' CG ' ' CD1' ' A' ' 90' ' ' PHE . 4.7 t0 -50.42 -62.51 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.1 tm? -47.16 -60.04 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.8 t -48.42 -31.25 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 99' ' ' HIS . 6.8 t -82.89 -68.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.453 ' N ' HG12 ' A' ' 98' ' ' VAL . 9.6 t60 -33.75 -45.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.425 ' HG2' HD13 ' A' ' 96' ' ' LEU . 16.5 mmm -54.6 -64.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 76.1 mt -54.96 -45.22 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -51.03 -53.86 29.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 104' ' ' LYS . 37.9 p -98.08 21.41 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 104' ' ' LYS . 6.6 pttt 33.04 45.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.639 ' CE1' ' CD2' ' A' ' 85' ' ' TYR . 35.6 m170 -78.6 -25.91 45.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.3 p90 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.891 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mptt . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.838 0.352 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.631 ' HB3' HD22 ' A' ' 35' ' ' LEU . 25.4 m-85 -111.04 164.91 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -156.14 134.34 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 23' ' ' LYS . 13.9 t -93.58 78.82 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 22' ' ' CYS . 9.1 tttt -33.93 -54.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.2 m-20 -34.2 -61.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.55 -177.77 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -96.02 39.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.66 148.95 43.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.61 170.26 16.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -147.81 168.76 21.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.898 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.86 -39.91 8.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.7 p -104.05 147.8 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 20' ' ' PHE . 48.3 tp -67.88 -46.43 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' CD ' ' A' ' 34' ' ' GLU . 4.4 p -49.32 -38.85 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.531 ' CD ' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -70.36 -47.21 61.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.631 HD22 ' HB3' ' A' ' 20' ' ' PHE . 28.1 tp -60.15 -55.64 31.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -40.78 -61.43 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 33' ' ' VAL . 70.2 t -39.2 -51.21 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -64.81 -49.81 69.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' GLY . 17.3 mtm -47.3 -45.66 24.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -80.22 -59.91 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -38.15 -41.41 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.3 p -100.01 -40.76 7.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 39' ' ' MET . . . 127.37 -32.52 3.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.593 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -43.97 167.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.824 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.865 0.365 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -125.67 149.48 48.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 15.1 t -74.93 151.77 38.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.7 mtt -92.2 -35.13 14.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -68.12 -70.0 0.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 87' ' ' GLY . 28.7 p -93.78 -47.91 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 86' ' ' CYS . . . 97.94 87.05 1.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 5.2 t60 -126.28 119.09 26.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.7 p -68.56 118.4 11.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 88' ' ' HIS . 96.7 m-85 -112.52 172.94 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -103.25 -48.46 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.2 m -112.55 165.62 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -63.89 -54.08 40.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -39.69 -42.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -59.84 -48.06 83.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.616 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.1 tm? -62.85 -56.28 18.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.4 p -51.23 -61.85 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 99' ' ' HIS . 31.7 t -46.61 -69.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.468 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.0 t60 -32.82 -47.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.0 mmm -64.81 -71.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.8 mt -42.99 -32.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -77.38 -46.49 22.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 104' ' ' LYS . 61.3 p -94.76 16.85 14.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 100' ' ' MET . 39.2 mtpt 34.04 49.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -84.85 -34.94 22.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mptt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.448 ' HB3' HD22 ' A' ' 35' ' ' LEU . 58.3 m-85 -108.23 131.19 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtm105 -125.06 124.13 41.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 23' ' ' LYS . 36.4 t -75.96 80.75 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 22' ' ' CYS . 13.6 tptm -33.49 -53.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' LYS . 8.5 t0 -35.32 -68.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' CYS . 27.5 p -102.2 -176.56 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -94.19 36.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -115.91 163.86 15.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 20' ' ' PHE . . . -155.27 158.51 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -134.11 154.94 50.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -46.33 36.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.6 p -108.34 147.81 30.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -67.41 -44.29 79.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -48.79 -25.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -89.94 -40.29 12.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 20' ' ' PHE . 11.3 tp -63.74 -46.84 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 45.8 p -44.2 -62.38 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 71.0 t -36.27 -54.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -62.18 -49.37 76.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.464 ' O ' ' N ' ' A' ' 43' ' ' GLY . 29.4 mtm -51.06 -52.94 38.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.94 -51.82 43.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -51.1 -63.83 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.2 p -73.64 -28.56 61.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 95.43 27.87 10.26 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' MET . 17.0 m170 -94.07 -176.63 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.409 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 23.6 m-85 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.879 0.371 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.448 ' CE ' ' HB3' ' A' ' 89' ' ' SER . 7.3 ttmt -137.82 149.41 46.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 87' ' ' GLY . 42.5 t -100.64 110.05 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -45.75 86.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.405 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 10.2 t80 -37.88 -59.3 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.5 p -106.39 -52.21 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 110.2 50.14 0.68 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -107.89 121.26 44.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.448 ' HB3' ' CE ' ' A' ' 82' ' ' LYS . 88.8 p -78.42 147.88 33.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 92.8 m-85 -139.18 -175.06 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -114.49 -52.95 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.4 p -113.62 159.49 19.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -51.69 -52.49 47.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.528 ' O ' HG12 ' A' ' 98' ' ' VAL . 39.1 tp60 -36.38 -62.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.578 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 4.2 m-20 -45.06 -46.59 11.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 96' ' ' LEU . 2.7 tm? -64.6 -55.15 22.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 99' ' ' HIS . 40.9 m -55.92 -65.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 94' ' ' GLN . 11.0 p -42.39 -24.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' SER . 3.6 t60 -84.29 -54.19 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 mmt -51.81 -40.07 59.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.425 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 19.7 mt -68.93 -57.0 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -55.59 -57.25 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.5 p -71.94 -21.89 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER 61.69 52.94 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -92.45 -47.42 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 31.8 p90 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.838 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mptt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.772 0.32 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 60.4 m-85 -107.01 142.7 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -136.02 134.73 38.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LYS . 8.0 t -94.61 80.07 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' CYS . 1.7 tttp -34.25 -56.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.0 m-20 -34.04 -59.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 30.0 p -105.78 -177.37 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 p -100.77 41.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.87 172.0 7.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.08 167.52 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -146.97 169.78 18.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -93.68 -42.65 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.2 p -109.98 153.98 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 15.8 tp -73.24 -45.88 53.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -49.8 -22.24 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -89.18 -44.32 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.65 -50.85 69.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' VAL . 21.0 p -42.23 -65.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 53.2 t -37.3 -50.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -66.2 -44.4 84.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.9 mtm -51.85 -49.13 63.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -76.9 -50.24 13.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -43.97 -50.76 8.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.1 p -88.34 -46.16 9.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.91 -36.56 1.67 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 4.6 m170 -45.04 165.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.867 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.867 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.898 0.38 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 88' ' ' HIS . 18.4 tttt -146.36 120.21 9.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.401 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 46.2 t -55.97 144.75 27.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.5 ttm -93.02 -25.84 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 4.2 t80 -64.22 -57.07 10.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.1 p -98.11 -51.62 3.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 108.09 50.66 0.76 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.432 ' C ' ' HG3' ' A' ' 82' ' ' LYS . 9.6 m170 -111.84 135.24 52.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.812 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.8 t -85.66 139.63 31.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.553 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 73.4 m-85 -119.53 142.51 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.83 -32.03 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.5 p -116.72 149.59 39.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.6 -40.74 96.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.563 ' O ' HG23 ' A' ' 98' ' ' VAL . 0.7 OUTLIER -57.43 -30.34 64.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.553 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 2.3 m-20 -67.61 -45.33 75.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 2.2 tm? -52.33 -56.99 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.4 t -64.82 -51.64 61.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 94' ' ' GLN . 18.3 t -48.51 -39.82 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -71.69 -45.61 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 104' ' ' LYS . 8.2 mtt -50.87 -43.97 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 60.4 mt -79.47 -50.38 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -49.31 -28.67 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.536 ' HB ' ' CD2' ' A' ' 105' ' ' HIS . 46.5 p -117.81 -6.48 11.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 100' ' ' MET . 6.5 mtpm? 56.22 40.54 29.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.536 ' CD2' ' HB ' ' A' ' 103' ' ' THR . 13.6 m170 -74.23 -41.22 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.5 p90 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.886 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.457 -0.111 0 CA-C-O 120.822 0.344 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 46.0 m-85 -101.57 144.68 30.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.472 ' HG2' ' HB2' ' A' ' 28' ' ' ALA . 25.6 mtp180 -124.25 179.11 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.0 t -121.55 93.47 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.8 tttp -38.09 -26.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' CYS . 2.4 m-20 -79.29 -75.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' CYS . 31.4 p -93.3 157.8 16.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -81.45 39.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.22 120.11 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.472 ' HB2' ' HG2' ' A' ' 21' ' ' ARG . . . -105.66 166.39 10.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -139.43 155.74 47.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -42.55 67.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.0 p -117.83 145.78 44.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 17.9 tp -67.54 -48.26 67.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -44.95 -34.22 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -79.48 -42.5 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.09 -52.5 62.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 37' ' ' VAL . 33.2 p -40.03 -60.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' THR . 91.9 t -37.41 -49.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -65.95 -55.34 17.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 44' ' ' HIS . 22.7 mtm -45.31 -48.72 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -73.92 -54.26 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -45.65 -59.27 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.6 p -73.55 -50.83 19.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.45 -29.51 1.89 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 39' ' ' MET . 27.3 m170 -50.22 165.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.85 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 92' ' ' SER . 20.6 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.901 0.381 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.404 ' CE ' ' HB3' ' A' ' 89' ' ' SER . 11.4 ttmt -145.29 121.42 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -58.82 150.67 23.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 26.4 tpp -98.85 -31.79 11.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.511 ' CD1' ' CE1' ' A' ' 105' ' ' HIS . 3.2 t80 -54.73 -58.18 8.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 23.3 p -104.57 -50.4 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.7 64.54 0.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -120.84 141.15 50.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.404 ' HB3' ' CE ' ' A' ' 82' ' ' LYS . 52.8 p -81.12 151.78 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.563 ' CE1' HD22 ' A' ' 96' ' ' LEU . 77.8 m-85 -136.15 -177.58 4.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -107.0 -54.96 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.499 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 19.3 p -135.03 170.53 15.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.662 ' H ' HD22 ' A' ' 93' ' ' LEU . 2.8 mm? -47.47 -51.83 19.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.66 -58.44 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.02 -44.33 64.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.578 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.5 tm? -63.46 -65.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 98' ' ' VAL . 18.3 t -38.42 -65.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 102' ' ' LYS . 53.4 t -34.95 -71.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' VAL . 11.6 t60 -37.62 -59.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' LYS . 4.4 mmt -48.75 -36.71 17.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' VAL . 23.1 mt -78.03 -62.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 98' ' ' VAL . 37.7 mttp -48.38 -30.9 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.463 ' OG1' ' CD2' ' A' ' 105' ' ' HIS . 34.1 p -105.66 -16.36 14.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER 61.67 49.27 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.511 ' CE1' ' CD1' ' A' ' 85' ' ' TYR . 20.9 m170 -86.88 -24.43 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 1.2 p90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 -179.871 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 24.9 m-85 -88.75 174.6 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -153.94 156.09 36.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 t -108.01 128.54 54.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 0.6 OUTLIER -69.57 -61.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.527 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.8 m-20 -44.84 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.802 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.6 p -92.52 161.52 14.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -92.89 40.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.53 121.11 42.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.67 168.1 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -139.29 168.94 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -93.15 -42.19 9.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.1 p -113.6 146.63 39.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.211 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 50.8 tp -62.46 -52.03 65.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.8 p -45.34 -32.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -79.34 -33.65 42.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.34 -54.78 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 39' ' ' MET . 44.2 p -44.15 -65.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -39.27 -35.78 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -80.58 -39.11 28.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' THR . 33.1 mtm -60.23 -37.7 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -84.02 -45.84 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -54.25 -43.85 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.8 p -91.23 -46.1 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.16 -28.46 3.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 12.1 m170 -47.13 160.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.832 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.687 HD13 ' N ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.899 0.381 . . . . 0.0 110.904 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -145.98 125.43 13.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.28 155.73 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.3 mtm -97.97 -29.4 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.613 ' CD2' ' CD2' ' A' ' 105' ' ' HIS . 84.0 t80 -76.1 -72.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 105' ' ' HIS . 30.6 p -79.34 -42.63 25.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.02 79.64 1.17 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.91 136.08 35.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.5 p -82.49 131.81 35.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 93.3 m-85 -113.12 145.27 41.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.41 -44.2 79.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.6 p -116.51 163.49 15.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.777 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -72.24 -45.13 61.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -48.14 -44.14 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.401 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.7 m-20 -55.91 -45.0 78.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 96' ' ' LEU . 3.3 tm? -55.41 -50.27 70.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 71.0 m -59.86 -66.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.5 p -50.04 -28.45 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.53 -54.91 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.7 mmt -49.67 -64.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.56 ' H ' HD12 ' A' ' 101' ' ' ILE . 4.0 mp -48.68 -41.25 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -63.45 -39.62 94.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 104' ' ' LYS . 47.7 p -106.7 19.72 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 100' ' ' MET . 16.0 mttp 34.27 42.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.613 ' CD2' ' CD2' ' A' ' 85' ' ' TYR . 38.4 m170 -80.79 -37.66 29.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 4.2 p90 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.85 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.801 0.334 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.544 ' HB3' HD22 ' A' ' 35' ' ' LEU . 75.3 m-85 -102.15 155.01 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -142.97 141.17 31.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 t -79.23 130.49 35.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.78 24.07 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.483 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . 7.0 t70 -126.44 -53.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.3 p -111.56 -178.85 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -91.33 36.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.86 152.13 35.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.148 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.73 170.56 15.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -148.14 172.6 14.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -98.07 -42.09 7.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -107.37 134.06 50.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 36' ' ' THR . 0.1 OUTLIER -53.55 -56.0 20.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.954 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -41.35 -24.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.1 mt-10 -91.01 -32.39 15.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 20' ' ' PHE . 59.0 tp -76.66 -48.92 17.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.746 HG23 ' H ' ' A' ' 37' ' ' VAL . 1.2 t -49.77 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.746 ' H ' HG23 ' A' ' 36' ' ' THR . 14.4 p -37.25 -31.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' THR . 7.0 t60 -87.28 -40.14 14.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 36' ' ' THR . 67.4 mtm -66.76 -52.35 45.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.56 -27.9 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 27.6 mm-40 -77.41 -71.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.0 p -66.14 -3.95 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.77 -18.03 46.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.483 ' CG ' ' HB3' ' A' ' 24' ' ' ASP . 32.9 m170 -54.04 -178.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.443 ' C ' ' SD ' ' A' ' 39' ' ' MET . 1.5 t80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.879 0.371 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 89' ' ' SER . 3.9 tppp? -130.11 137.96 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.564 ' O ' ' N ' ' A' ' 87' ' ' GLY . 22.6 t -90.81 103.14 15.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.798 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' TYR . 28.6 mmm -47.11 -48.66 22.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.425 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 19.8 t80 -37.16 -66.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 18.7 p -101.24 -51.97 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 109.69 61.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.471 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 9.0 m170 -118.26 105.5 11.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 88.1 p -63.4 146.95 52.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.588 ' CD2' HD23 ' A' ' 96' ' ' LEU . 97.7 m-85 -131.58 -179.14 5.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 9.5 pm0 -118.28 -37.75 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.77 148.32 42.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.771 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.14 -47.81 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.725 ' O ' HG12 ' A' ' 98' ' ' VAL . 2.9 tt0 -45.16 -66.15 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.54 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.2 m-20 -36.94 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.588 HD23 ' CD2' ' A' ' 90' ' ' PHE . 2.4 tm? -87.49 -57.72 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.592 ' O ' HD13 ' A' ' 101' ' ' ILE . 23.1 t -52.36 -18.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.2 p -95.93 -47.9 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.557 ' HA ' ' CG ' ' A' ' 102' ' ' LYS . 7.8 t60 -47.27 -50.52 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.795 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.7 mmt -51.48 -43.04 62.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.592 HD13 ' O ' ' A' ' 97' ' ' SER . 1.8 mp -73.19 -65.9 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.64 ' HG3' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -44.66 -33.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.823 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.64 HG23 ' HG3' ' A' ' 102' ' ' LYS . 4.1 p -105.21 -6.51 19.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER 48.1 52.41 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -89.56 -52.24 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.427 ' CD1' ' HB3' ' A' ' 100' ' ' MET . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.979 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 mptt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.847 0.356 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 23.3 m-85 -113.52 154.26 27.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -148.06 122.53 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' LYS . 4.0 t -73.37 77.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' CYS . 8.6 tttm -35.91 -51.36 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -39.18 -70.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 32.0 p -90.95 177.92 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.3 p -93.44 39.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.67 160.07 30.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.93 169.04 18.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -145.84 154.91 42.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.38 -42.21 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.2 p -106.28 146.08 30.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 63.0 tp -66.47 -49.2 67.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.76 -18.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.52 -30.42 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 tp -78.69 -53.35 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 34.0 p -42.05 -66.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.575 HG22 ' OE2' ' A' ' 41' ' ' GLU . 7.6 p -37.41 -37.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -78.15 -45.61 22.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.462 ' SD ' ' C ' ' A' ' 45' ' ' TYR . 54.9 mtm -58.08 -43.95 87.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -76.05 -28.7 57.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.575 ' OE2' HG22 ' A' ' 37' ' ' VAL . 25.6 mt-10 -69.9 -45.24 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.797 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.9 p -93.19 -30.29 15.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.149 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.12 -21.17 8.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.407 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 15.8 m170 -52.14 179.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.462 ' C ' ' SD ' ' A' ' 39' ' ' MET . 10.1 m-85 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.823 0.344 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 89' ' ' SER . 1.3 ptmm? -129.62 130.89 46.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.499 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 2.6 t -55.31 147.32 17.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 14.9 ttm -85.65 -35.1 21.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.416 ' HB3' ' ND1' ' A' ' 105' ' ' HIS . 10.5 t80 -53.88 -63.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.4 p -94.54 -57.15 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.499 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 112.94 43.96 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.471 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 6.8 m170 -96.95 102.88 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.838 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 82' ' ' LYS . 4.7 t -60.91 136.58 58.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 88' ' ' HIS . 83.7 m-85 -125.22 168.53 13.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -92.78 -53.25 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.1 p -107.69 164.07 12.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.471 ' O ' HD13 ' A' ' 93' ' ' LEU . 0.5 OUTLIER -62.1 -42.72 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.489 ' O ' HG12 ' A' ' 98' ' ' VAL . 53.3 tp60 -47.8 -59.56 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.4 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.4 m-20 -45.33 -35.86 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -73.4 -49.08 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' HD12 ' A' ' 101' ' ' ILE . 1.8 t -60.72 -66.18 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 94' ' ' GLN . 13.8 p -42.0 -27.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -75.29 -50.45 16.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.518 ' HB3' ' CD1' ' A' ' 106' ' ' TYR . 5.2 mtt -47.03 -35.78 7.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.419 HD12 ' O ' ' A' ' 97' ' ' SER . 5.3 mp -87.11 -50.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -52.73 -25.32 10.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 66.7 p -116.49 -18.06 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.21 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.46 41.32 12.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.416 ' ND1' ' HB3' ' A' ' 85' ' ' TYR . 31.3 m170 -76.87 -52.9 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.852 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . 0.518 ' CD1' ' HB3' ' A' ' 100' ' ' MET . 2.9 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 24.4 m-85 -110.78 154.84 23.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 20' ' ' PHE . 25.7 mtm180 -146.42 128.68 15.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' LYS . 13.2 t -85.26 84.64 7.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 22' ' ' CYS . 22.2 tptt -34.11 -55.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' LYS . 14.8 t0 -35.98 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' CYS . 26.4 p -90.26 179.39 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -96.98 37.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.65 165.05 12.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.3 161.79 39.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.049 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -141.36 149.49 41.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.74 -41.78 59.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.2 p -111.34 156.29 21.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 62.7 tp -71.83 -46.68 57.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -49.96 -32.63 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -76.51 -31.46 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 tp -78.1 -49.04 14.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' MET . 32.8 p -43.54 -66.12 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 38' ' ' HIS . 8.9 p -37.44 -41.47 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.434 ' N ' HG13 ' A' ' 37' ' ' VAL . 24.8 t60 -72.62 -42.3 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' GLY . 24.6 mtm -59.58 -49.08 79.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -65.15 -49.43 69.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.99 -66.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.7 p -72.2 -48.75 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 116.02 30.53 2.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.512 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 21.8 m170 -93.83 -174.5 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.828 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 18.2 m-85 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.871 0.367 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 87' ' ' GLY . 17.0 mttm -127.63 171.28 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 87' ' ' GLY . 7.7 t -114.2 112.25 22.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.2 mtm -49.43 -49.09 46.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.476 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 2.0 t80 -40.67 -70.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.7 p -99.93 -53.17 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 108.56 74.07 0.82 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -126.93 116.81 21.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.3 p -74.36 135.0 42.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 96.2 m-85 -123.99 153.66 40.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -79.58 -45.78 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.2 m -114.0 162.97 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -53.65 31.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.586 ' O ' HG23 ' A' ' 98' ' ' VAL . 52.2 tp60 -38.64 -38.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 16.6 m-20 -63.23 -48.31 78.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.696 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.7 tm? -63.17 -55.13 27.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.407 ' O ' HD12 ' A' ' 101' ' ' ILE . 57.0 m -48.53 -58.98 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 94' ' ' GLN . 86.6 t -49.29 -66.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.8 t60 -33.68 -53.32 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 104' ' ' LYS . 5.5 mtp -44.55 -53.63 6.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.407 HD12 ' O ' ' A' ' 97' ' ' SER . 4.7 mp -70.43 -42.97 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -51.11 -30.33 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.3 p -123.54 4.91 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 100' ' ' MET . 27.6 mttp 50.0 39.78 19.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -72.57 -32.0 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 32.1 p90 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.828 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.82 0.343 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 52.8 m-85 -132.51 176.32 8.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -151.41 173.76 14.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 25' ' ' CYS . 2.6 t -116.69 125.33 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 10.7 pttt -58.34 -40.13 81.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.2 m-20 -72.39 -76.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' CYS . 27.7 p -82.84 159.97 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -88.97 40.31 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.44 177.32 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.64 161.39 39.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -139.9 171.04 14.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -92.86 -42.41 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.0 p -116.49 132.12 56.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.734 HD11 HG23 ' A' ' 36' ' ' THR . 0.2 OUTLIER -51.07 -62.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' LEU . 32.6 m -33.41 -37.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' LEU . 90.5 mt-10 -75.27 -50.48 15.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' LEU . 17.9 tp -52.58 -56.81 12.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.734 HG23 HD11 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -40.13 -54.46 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.0 t -41.16 -60.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -53.7 -44.4 69.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 29.2 mtm -58.6 -46.63 86.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -58.75 3.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -47.17 -63.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.9 p -66.73 -52.16 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.43 -20.55 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.419 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.499 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 17.6 m170 -55.29 -175.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.3 t80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 -179.83 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.836 0.35 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 89' ' ' SER . 3.0 tptt -137.29 132.84 34.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.45 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 13.7 t -55.19 129.1 36.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.8 mtm -74.57 7.37 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -123.93 -58.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 87' ' ' GLY . 15.6 p -108.75 17.72 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 86' ' ' CYS . . . 32.07 68.94 0.13 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.49 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.514 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 2.6 t-160 -106.72 120.91 43.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.477 ' N ' ' HE3' ' A' ' 82' ' ' LYS . 25.2 p -61.7 144.97 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.656 ' CD2' HD23 ' A' ' 96' ' ' LEU . 90.9 m-85 -137.3 171.97 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -98.82 -47.04 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m -130.58 166.23 21.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.808 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -57.48 -59.16 5.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -37.77 -47.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -56.73 -39.7 74.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.756 HD13 ' C ' ' A' ' 96' ' ' LEU . 2.2 tm? -71.8 -51.83 20.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.2 t -54.84 -38.0 66.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.501 HG12 ' HG3' ' A' ' 102' ' ' LYS . 23.7 t -71.98 -65.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.483 ' C ' ' O ' ' A' ' 98' ' ' VAL . 18.4 t60 -31.71 -57.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 104' ' ' LYS . 17.6 mmm -43.56 -64.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.2 mt -58.26 -40.86 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.501 ' HG3' HG12 ' A' ' 98' ' ' VAL . 20.0 mmtt -57.58 -34.86 69.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.6 p -111.94 9.62 20.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 100' ' ' MET . 30.9 mttt 48.95 43.67 21.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -83.79 -27.0 29.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 12.2 p90 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -179.875 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.845 0.355 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.581 ' HB3' HD22 ' A' ' 35' ' ' LEU . 60.3 m-85 -103.1 140.57 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -136.52 119.27 16.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' LYS . 8.3 t -77.27 81.46 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' ASP . 7.1 ttpp -36.85 -54.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.2 m-20 -34.38 -61.93 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 28.8 p -101.69 -175.71 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -100.8 39.81 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.25 173.53 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.25 167.75 29.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -147.61 159.2 44.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.6 -46.28 9.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -109.99 142.65 41.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 18.0 tp -58.13 -46.65 85.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -47.02 -20.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -91.2 -46.5 8.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 20' ' ' PHE . 15.8 tp -63.73 -51.38 65.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.493 HG23 ' HG ' ' A' ' 32' ' ' LEU . 14.9 p -42.59 -63.48 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.1 t -43.06 -43.9 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -67.59 -41.99 83.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 43' ' ' GLY . 51.7 mtm -54.86 -45.39 74.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -79.98 -45.31 18.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.54 -37.67 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.9 p -102.1 -42.74 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.226 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 131.73 -36.06 2.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 8.8 m170 -43.78 167.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.8 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 19.5 mt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.864 0.364 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -134.15 139.79 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' GLY . 16.6 t -90.73 107.49 19.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.6 ttp -53.51 -44.18 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' TYR . . . . . 0.417 ' CD1' ' CD2' ' A' ' 105' ' ' HIS . 17.2 t80 -41.54 -70.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 26.6 p -93.5 -48.97 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 105.15 58.74 0.66 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -120.89 117.42 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.2 p -72.81 132.65 43.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 94.1 m-85 -114.84 -175.55 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.72 -43.18 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.6 m -115.4 154.11 29.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -59.28 -55.3 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.564 ' O ' HG23 ' A' ' 98' ' ' VAL . 35.9 tp60 -36.01 -48.33 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.508 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.6 OUTLIER -57.51 -53.52 57.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.54 ' O ' HD13 ' A' ' 96' ' ' LEU . 1.8 tm? -59.11 -50.44 74.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.2 m -54.26 -52.52 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 94' ' ' GLN . 98.1 t -62.85 -69.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.6 t60 -33.25 -40.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.0 mmt -58.32 -68.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 101' ' ' ILE . 3.7 mp -56.55 -40.26 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -53.75 -38.45 64.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 78.7 p -114.69 11.6 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 100' ' ' MET . 2.6 mppt? 47.72 36.65 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' HIS . . . . . 0.417 ' CD2' ' CD1' ' A' ' 85' ' ' TYR . 24.8 m170 -74.33 -19.82 60.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 t -170.35 108.88 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 110.926 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 p -171.41 151.88 3.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.43 176.54 43.77 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.529 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.0 m -149.87 154.17 37.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.941 0.4 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 p -169.31 174.39 6.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.98 82.95 0.77 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 27.7 mtpp -116.6 87.76 2.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.33 . . . . 0.0 110.942 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 tp -131.36 149.45 52.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -120.87 171.87 8.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 151.69 64.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.51 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 t -127.97 36.88 4.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.839 0.352 . . . . 0.0 110.913 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.597 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.7 pp -62.03 137.31 24.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -106.78 127.27 53.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 47.0 p -133.5 107.49 8.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.142 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -162.42 133.21 3.03 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.78 163.39 25.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.805 0.336 . . . . 0.0 111.1 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.0 p -139.94 130.91 26.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.894 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 mmtp -68.69 -65.22 0.73 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.454 ' HB3' HD22 ' A' ' 35' ' ' LEU . 36.5 m-85 -107.07 161.12 15.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' N ' ' HD3' ' A' ' 21' ' ' ARG . 0.8 OUTLIER -145.62 151.24 37.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 51.6 t -97.52 136.81 37.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 tttp -71.0 -61.72 1.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.506 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.4 m-20 -43.95 -73.19 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 20.3 p -94.13 178.05 5.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.823 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 38.0 m -102.25 40.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.912 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.81 109.51 21.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.057 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.64 156.32 16.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.099 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -134.25 172.62 12.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -102.18 -42.57 6.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.942 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.407 ' HB ' HG12 ' A' ' 33' ' ' VAL . 71.4 p -108.18 136.44 47.83 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.158 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.407 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 56.9 tp -57.58 -41.09 80.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.951 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.411 ' O ' HG23 ' A' ' 37' ' ' VAL . 6.2 p -53.85 -25.71 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.126 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -84.96 -41.04 16.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.454 HD22 ' HB3' ' A' ' 20' ' ' PHE . 17.8 tp -63.79 -57.43 9.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.959 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.9 p -42.16 -50.68 4.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.422 HG12 ' OE1' ' A' ' 41' ' ' GLU . 54.8 t -48.21 -43.28 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.058 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -71.9 -41.85 67.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.417 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 8.4 mtm -54.64 -35.91 63.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.0 m-80 -90.94 -47.85 7.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' OE1' HG12 ' A' ' 37' ' ' VAL . 27.9 mt-10 -49.0 -55.11 12.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 42.3 p -88.92 -40.5 13.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.156 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.61 -29.18 4.54 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.483 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.506 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 14.1 m170 -47.37 174.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.754 0.311 . . . . 0.0 110.805 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -147.22 167.33 24.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.89 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.417 ' N ' ' SD ' ' A' ' 39' ' ' MET . 9.8 ptt180 -58.69 176.13 0.21 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.852 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 48' ' ' ASP . 0.2 OUTLIER -114.17 -35.67 4.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.844 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' ASP . 1.0 OUTLIER -34.63 147.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.915 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 -38.91 148.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -121.49 131.96 54.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -106.06 68.72 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.538 HG22 ' O ' ' A' ' 52' ' ' THR . 9.8 m -105.29 32.37 4.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -151.63 138.59 19.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 26.2 t30 -116.44 -43.78 2.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.407 ' O ' ' HD3' ' A' ' 57' ' ' PRO . 1.3 t30 -54.39 111.94 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.809 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -102.09 97.18 7.91 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.542 0.686 . . . . 0.0 110.907 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 55' ' ' ASN . 53.8 Cg_endo -69.72 -6.38 18.45 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.717 2.278 . . . . 0.0 112.363 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.05 116.9 23.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -66.07 140.46 58.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 33.1 p90 -105.77 149.04 26.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.968 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.4 m -57.02 -177.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.001 0.429 . . . . 0.0 110.796 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -43.72 149.07 0.66 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.721 . . . . 0.0 110.902 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 177.05 6.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.293 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.0 ttp85 -90.66 149.93 21.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.8 ptmm? -150.34 145.13 25.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -150.29 150.28 31.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.549 ' C ' HD22 ' A' ' 68' ' ' LEU . 4.0 m -78.41 139.22 38.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.805 -179.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.549 HD22 ' C ' ' A' ' 67' ' ' SER . 3.2 mm? -118.97 70.65 0.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.581 HD12 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -49.65 178.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.422 ' CG ' ' O ' ' A' ' 69' ' ' LEU . 21.2 mt-10 -164.2 134.8 4.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.41 161.89 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -118.13 171.26 8.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.875 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -120.62 -141.24 6.21 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.48 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 mmtt -81.0 83.55 6.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.923 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -102.02 131.55 48.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -144.57 109.95 5.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.818 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.69 76.92 4.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 55.3 mm-40 -100.75 175.11 5.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 24.8 ttpt -133.2 34.73 3.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.2 p -157.12 142.31 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.089 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.2 mt -56.04 121.19 8.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 19.6 tttm -145.08 128.84 17.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 85' ' ' TYR . 47.7 t -72.05 131.39 42.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.887 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.5 ttp -78.11 -19.86 53.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.419 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 3.8 t80 -71.67 -60.76 2.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.878 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 6.0 p -95.1 -54.38 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.403 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 104.06 71.83 0.87 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.506 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.481 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 5.9 t-160 -139.3 106.68 5.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.875 0.369 . . . . 0.0 110.824 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 18.6 m -57.52 149.11 21.91 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.884 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.488 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 97.7 m-85 -130.92 175.24 9.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.915 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -106.22 -47.34 3.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -112.91 160.92 17.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.841 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 94' ' ' GLN . 30.6 mt -60.41 -55.13 37.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.63 ' O ' HG12 ' A' ' 98' ' ' VAL . 43.6 tp60 -37.78 -60.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.488 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 4.0 m-20 -41.82 -41.64 2.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.587 HD13 ' C ' ' A' ' 96' ' ' LEU . 2.0 tm? -72.75 -54.15 9.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 6.6 m -57.97 -62.36 1.87 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.803 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.8 p -48.12 -21.84 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -83.78 -47.76 10.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.487 ' HG3' HD13 ' A' ' 96' ' ' LEU . 5.8 mtp -51.44 -30.73 20.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 17.5 mt -88.76 -53.56 9.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.17 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.525 ' HD2' HG22 ' A' ' 98' ' ' VAL . 8.8 mtpm? -54.51 -22.65 13.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.1 p -116.24 -14.42 11.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 53.49 46.37 26.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.491 ' O ' HG13 ' A' ' 109' ' ' VAL . 32.9 m170 -81.77 -34.03 30.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 7.5 p90 -65.59 -22.42 66.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.947 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.15 -35.85 55.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.922 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -122.12 90.2 3.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 105' ' ' HIS . 1.6 m -121.07 -3.76 8.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 49.1 m -150.16 -175.05 4.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -171.14 -113.24 0.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -178.59 2.4 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 t -138.6 141.21 39.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.8 p -91.33 -58.8 2.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 m -160.33 125.99 4.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.885 0.374 . . . . 0.0 110.848 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.7 p -160.67 163.13 32.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.899 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.4 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -94.93 -87.64 1.71 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.472 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 4' ' ' GLY . 58.7 p 38.13 49.81 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.929 0.395 . . . . 0.0 110.863 -179.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 t -53.47 104.23 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.782 ' HA3' ' HB2' ' A' ' 77' ' ' ALA . . . -176.33 -149.04 7.33 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' O ' ' CE ' ' A' ' 84' ' ' MET . 18.6 mmtp -140.75 109.82 6.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.801 0.334 . . . . 0.0 110.84 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 10' ' ' TYR . 2.0 tt -169.52 140.15 2.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.93 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.477 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -86.35 138.76 31.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -109.24 -127.16 5.42 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.3 t -174.56 130.65 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 0.0 110.892 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 28.8 pt -86.55 137.64 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 15' ' ' THR . 22.9 t80 -97.85 89.33 4.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.477 ' C ' ' O ' ' A' ' 14' ' ' PHE . 32.4 p 31.6 49.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.163 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.61 -165.97 2.23 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.558 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.68 167.13 21.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.504 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 78.8 p -120.08 101.24 7.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -88.85 -58.05 2.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.729 ' HB3' HD22 ' A' ' 35' ' ' LEU . 40.4 m-85 -82.59 145.26 29.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 48.2 mtp85 -135.78 131.33 35.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 37.4 t -81.33 144.54 31.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 24' ' ' ASP . 12.9 tttm -78.57 -65.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.3 m-20 -34.52 -65.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.8 p -100.36 -175.19 2.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 91.7 p -107.97 47.4 0.9 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -103.38 168.06 9.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.153 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 18' ' ' SER . . . -155.23 140.34 17.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -123.45 166.55 15.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.885 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -92.0 -40.68 10.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.866 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 43.0 p -108.86 135.65 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 28.7 tp -57.91 -49.03 78.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.904 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 34' ' ' GLU . 10.0 p -45.07 -40.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.232 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' N ' HG13 ' A' ' 33' ' ' VAL . 7.1 mt-10 -72.59 -39.77 67.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 20' ' ' PHE . 28.9 tp -65.13 -60.92 2.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.412 ' C ' ' O ' ' A' ' 35' ' ' LEU . 7.9 p -37.11 -43.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.162 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 33' ' ' VAL . 73.2 t -56.01 -55.76 16.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -58.34 -31.25 67.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.841 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.426 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 18.7 mtm -68.03 -55.09 13.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 -69.46 -29.64 67.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.867 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -71.01 -68.45 0.44 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.1 p -74.18 2.2 9.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.41 -31.71 4.08 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.456 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 42.4 m170 -43.74 159.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.826 0.346 . . . . 0.0 110.859 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -138.37 166.67 23.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' N ' ' SD ' ' A' ' 39' ' ' MET . 3.6 tpp85 -49.06 158.21 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.41 -50.01 4.46 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -74.02 174.38 8.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.3 p-10 -63.93 119.03 9.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 7.7 p80 -62.86 167.51 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.832 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -152.95 160.0 43.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.88 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.9 p -120.81 128.09 52.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.075 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -88.85 -23.67 22.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 p30 -120.89 133.25 55.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -103.58 89.99 3.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 10.0 m-20 -135.09 144.64 50.99 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.606 0.717 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -18.29 36.71 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.25 . . . . 0.0 112.318 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.0 mtmm -66.64 89.88 0.16 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.1 ttm180 -88.15 39.91 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 19.2 t90 -61.61 94.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.849 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.8 m -71.03 145.48 49.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.46 153.95 91.81 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.558 0.694 . . . . 0.0 110.878 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -178.68 2.45 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.699 2.266 . . . . 0.0 112.391 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 12.6 ttp-105 -123.09 23.38 9.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.918 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.8 152.87 21.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -50.74 126.73 16.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.854 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 m -139.58 141.82 37.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mp -125.48 71.44 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.859 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 86.3 mt -76.73 132.63 39.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.949 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -112.84 31.77 6.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.61 176.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -38.52 132.36 1.14 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 153.1 -57.45 0.42 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.453 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -78.11 95.98 5.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.74 0.305 . . . . 0.0 110.889 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.485 ' CG ' ' O ' ' A' ' 75' ' ' GLU . 2.5 tt0 -121.1 81.0 1.72 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -134.91 57.17 1.82 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.782 ' HB2' ' HA3' ' A' ' 7' ' ' GLY . . . -75.59 83.4 2.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 -42.09 149.37 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.01 -30.13 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.0 p -119.81 142.25 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.206 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.558 ' CD1' ' C ' ' A' ' 92' ' ' SER . 10.9 mt -38.7 126.72 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' ' 89' ' ' SER . 2.1 tptp -141.37 140.86 33.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.402 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 19.0 t -74.54 158.21 34.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.838 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.475 ' CE ' ' O ' ' A' ' 8' ' ' LYS . 2.3 mpt? -97.4 -38.89 9.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.866 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.427 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 4.5 t80 -63.4 -61.82 2.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.917 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 29.8 p -102.42 -49.41 3.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.844 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.402 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 100.39 81.96 1.63 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.464 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.562 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 7.0 m170 -122.61 126.42 47.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.836 0.35 . . . . 0.0 110.828 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.479 ' N ' ' HD2' ' A' ' 82' ' ' LYS . 80.6 p -74.04 114.74 12.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.562 ' CE2' ' O ' ' A' ' 88' ' ' HIS . 41.2 m-85 -107.65 140.86 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -63.68 -32.84 74.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.558 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 53.8 p -154.41 165.49 36.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.427 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -50.92 -46.43 60.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.942 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 93' ' ' LEU . 25.2 tp60 -35.89 -65.14 0.27 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -57.0 -42.81 80.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 90' ' ' PHE . 0.0 OUTLIER -52.28 -57.22 10.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 -179.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.8 m -52.58 -61.24 2.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 93.9 t -40.04 -50.15 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.162 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -60.72 -45.48 94.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.816 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.445 ' O ' ' N ' ' A' ' 104' ' ' LYS . 9.1 mtt -59.08 -51.58 69.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 3.0 mp -63.51 -48.95 84.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -61.43 -64.31 0.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.4 p -66.82 -20.94 66.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' MET . 6.5 mmtp 62.97 53.13 2.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.409 ' ND1' ' HB3' ' A' ' 85' ' ' TYR . 34.8 m170 -95.22 -33.77 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.483 ' CE1' ' HG3' ' A' ' 107' ' ' GLN . 1.4 p90 -80.33 -26.26 38.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.483 ' HG3' ' CE1' ' A' ' 106' ' ' TYR . 8.4 mt-30 -67.77 -58.86 3.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.48 -37.72 3.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.866 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 48.2 t -41.63 -48.95 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.099 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 31.8 m -53.64 179.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -81.47 113.82 3.71 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.474 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.85 179.56 3.66 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.682 2.255 . . . . 0.0 112.291 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 68.4 m -160.27 121.01 2.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.86 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.7 t -139.2 176.36 8.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.948 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -125.76 176.8 6.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.902 0.382 . . . . 0.0 110.867 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -166.01 171.7 12.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.85 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.63 157.14 24.29 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -173.59 112.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.979 0.418 . . . . 0.0 110.813 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.1 m -72.03 155.88 39.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.844 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.23 146.78 6.03 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.527 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.417 ' C ' ' HE3' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -127.34 84.28 2.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.779 0.323 . . . . 0.0 110.886 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.3 mt -128.75 159.16 36.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.902 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -132.51 56.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 40.36 90.83 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.482 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.8 p -126.93 85.64 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.854 0.359 . . . . 0.0 110.857 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -91.57 42.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.175 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -68.75 103.27 1.71 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 88.4 m -148.97 137.04 20.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.53 172.35 34.98 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -154.51 -178.19 6.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.749 0.309 . . . . 0.0 111.139 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 69.2 m -122.59 120.5 33.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -64.86 -53.13 51.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.951 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.438 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 61.2 m-85 -113.93 161.02 18.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 78.7 mtt180 -149.94 127.08 11.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.3 t -74.71 135.51 41.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.4 tttm -71.87 -64.67 0.89 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.913 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -44.82 -66.52 0.38 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.837 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.536 ' SG ' ' HB3' ' A' ' 27' ' ' ALA . 14.6 p -96.97 155.68 16.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -84.46 36.09 0.58 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.536 ' HB3' ' SG ' ' A' ' 25' ' ' CYS . . . -99.7 127.25 45.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.123 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -115.56 155.68 27.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -134.45 159.42 41.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.491 ' OD2' HG23 ' A' ' 31' ' ' THR . 5.7 p-10 -77.77 -48.05 17.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.917 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.491 HG23 ' OD2' ' A' ' 30' ' ' ASP . 61.6 p -112.72 143.63 43.61 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.148 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 35' ' ' LEU . 21.5 tp -52.91 -49.9 65.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 34' ' ' GLU . 33.7 m -40.27 -44.66 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.491 ' N ' HG23 ' A' ' 33' ' ' VAL . 57.7 mt-10 -68.35 -33.96 75.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' LEU . 24.6 tp -71.74 -53.2 14.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.446 HG23 ' HG ' ' A' ' 32' ' ' LEU . 39.4 p -48.76 -66.14 0.45 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 p -36.82 -33.11 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 36' ' ' THR . 8.9 t60 -82.78 -45.24 14.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.427 ' N ' ' O ' ' A' ' 36' ' ' THR . 38.0 mtm -56.5 -43.11 79.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -71.25 -51.33 25.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.82 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 -51.11 -66.11 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.824 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.6 p -70.1 -48.97 55.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 116.64 27.75 2.71 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.498 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.508 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 14.8 m170 -90.21 -175.34 4.49 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.839 0.352 . . . . 0.0 110.86 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 24.2 m-85 -150.27 140.38 22.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 14.1 ptt180 -50.97 175.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 0.7 OUTLIER -131.62 36.13 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.83 -179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -80.35 172.42 13.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.785 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -94.2 136.25 34.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.945 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -161.03 177.67 10.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -89.85 165.83 13.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.801 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.4 p -138.54 163.22 32.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.176 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -54.3 -22.14 11.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -104.38 171.11 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -133.85 122.72 23.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.862 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 16.8 p-10 -101.23 130.69 24.38 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.557 0.694 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.79 -3.19 11.53 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.307 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 36.5 mtmt -90.69 46.02 1.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.481 ' O ' ' CG ' ' A' ' 60' ' ' TRP . 13.9 ptt180 -115.17 90.21 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.95 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.481 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 13.8 m95 -172.29 178.35 2.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.949 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.6 p -165.8 163.58 18.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.891 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.86 148.2 39.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.633 0.73 . . . . 0.0 110.866 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -179.22 2.75 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.736 2.291 . . . . 0.0 112.334 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.436 ' HB2' ' NH1' ' A' ' 64' ' ' ARG . 0.6 OUTLIER -162.79 144.04 10.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.818 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -82.33 164.04 21.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -136.65 172.75 12.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.828 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.4 p -106.86 153.24 22.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.795 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.0 mp -131.27 73.71 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -108.99 128.06 54.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.903 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.45 ' CD ' ' O ' ' A' ' 70' ' ' GLU . 2.4 pp20? -131.54 54.54 1.92 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 35.1 mtm -88.46 29.89 0.94 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -130.13 146.59 51.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -159.12 -139.63 2.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.481 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -121.95 79.58 1.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.756 0.312 . . . . 0.0 110.871 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -96.35 167.13 11.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.73 105.8 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.851 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -92.2 78.77 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.409 ' NE2' ' O ' ' A' ' 78' ' ' GLN . 3.5 tm0? -101.64 -35.82 8.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 16.1 mttp -49.05 -62.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.3 p -124.26 141.27 44.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.061 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.9 mt -59.38 130.27 46.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.871 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -145.73 145.0 30.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.527 ' O ' ' N ' ' A' ' 87' ' ' GLY . 41.8 t -91.87 108.55 20.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 7.5 tpp -49.88 -40.42 42.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.418 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 5.2 t80 -52.54 -72.4 0.05 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.936 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 23.1 p -92.0 -50.89 5.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 100.25 57.67 0.89 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.47 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -108.63 100.76 9.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.764 0.316 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.1 p -55.87 137.86 49.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.649 ' CD1' ' CG ' ' A' ' 95' ' ' ASP . 61.0 m-85 -129.92 169.21 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -96.47 -47.15 6.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 53.7 p -119.28 162.5 18.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 16.6 tp -61.29 -38.27 86.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.917 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.3 tp60 -39.8 -58.87 1.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.94 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.649 ' CG ' ' CD1' ' A' ' 90' ' ' PHE . 6.5 t0 -53.3 -56.52 15.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.48 HD13 ' HG3' ' A' ' 100' ' ' MET . 2.6 tm? -52.38 -65.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.463 ' O ' HD12 ' A' ' 101' ' ' ILE . 6.7 t -42.09 -69.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.593 HG12 ' HE2' ' A' ' 102' ' ' LYS . 92.5 t -44.68 -55.74 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.167 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -46.61 -50.65 17.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.48 ' HG3' HD13 ' A' ' 96' ' ' LEU . 4.3 mtt -47.8 -46.32 30.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.485 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 4.7 mp -74.89 -60.0 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.101 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.593 ' HE2' HG12 ' A' ' 98' ' ' VAL . 22.3 mtmt -41.37 -46.92 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.551 ' HB ' ' CD2' ' A' ' 105' ' ' HIS . 78.6 p -93.06 -13.82 28.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.485 ' CD ' ' O ' ' A' ' 101' ' ' ILE . 3.1 mppt? 54.85 38.25 29.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.551 ' CD2' ' HB ' ' A' ' 103' ' ' THR . 26.4 m170 -67.43 -53.71 26.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.857 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -47.71 -31.02 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.945 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -68.39 -39.86 81.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -97.96 64.55 1.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 77.4 t -120.34 -44.69 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 80.1 p -111.96 90.65 3.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.43 110.49 1.46 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.535 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 138.59 38.34 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.688 2.259 . . . . 0.0 112.364 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 52.0 p -114.51 -34.38 5.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 26.3 t -124.51 -51.84 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.859 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.552 -179.993 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -166.47 146.83 6.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.855 0.359 . . . . 0.0 110.815 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 m -159.05 134.85 8.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 161.75 123.08 0.65 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.1 m -133.68 156.85 47.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.845 0.355 . . . . 0.0 110.845 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.8 p -124.52 152.43 43.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.6 154.86 18.91 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.41 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 128.3 39.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.844 0.354 . . . . 0.0 110.882 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -55.06 142.22 31.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.3 m-85 -103.65 135.72 44.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 171.52 63.68 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.573 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.3 t -85.22 43.44 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.771 0.32 . . . . 0.0 110.802 -179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 84.4 mt -39.65 135.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.051 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -59.87 124.26 19.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 76.4 p -100.51 99.93 10.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.7 127.3 4.54 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.521 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.46 174.39 6.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.729 0.299 . . . . 0.0 111.126 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.6 p -139.92 122.05 15.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -78.56 -48.14 15.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.58 ' CD2' HD13 ' A' ' 32' ' ' LEU . 54.5 m-85 -119.85 157.77 28.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 21.1 mtm180 -137.29 175.76 9.32 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.514 ' O ' ' N ' ' A' ' 24' ' ' ASP . 8.9 t -126.09 90.39 3.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.451 ' C ' ' O ' ' A' ' 22' ' ' CYS . 2.6 ttpt -33.87 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 22' ' ' CYS . 5.4 t70 -72.21 -70.99 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.435 ' O ' ' O ' ' A' ' 22' ' ' CYS . 30.2 p -101.49 152.89 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.877 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.8 m -78.35 42.65 0.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.829 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -111.65 120.66 42.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.151 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.57 160.52 15.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -136.34 147.27 47.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.9 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.83 -40.52 97.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 35.3 p -121.73 153.51 38.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.141 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.58 HD13 ' CD2' ' A' ' 20' ' ' PHE . 45.9 tp -64.58 -49.27 71.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.481 HG13 ' N ' ' A' ' 34' ' ' GLU . 7.4 p -44.1 -45.69 2.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.053 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.603 ' O ' HG12 ' A' ' 37' ' ' VAL . 6.5 mm-40 -63.31 -28.81 70.27 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.927 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.425 HD23 HD12 ' A' ' 32' ' ' LEU . 17.3 tp -81.36 -53.01 6.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.967 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.1 p -46.01 -43.17 14.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.603 HG12 ' O ' ' A' ' 34' ' ' GLU . 10.2 p -58.84 -30.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -85.31 -40.03 17.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.497 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 27.5 mtm -57.44 -38.54 74.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -82.5 -43.76 16.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.943 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -55.11 -57.86 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.7 p -80.63 -45.93 16.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.36 -27.87 3.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -45.78 163.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.836 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.421 ' C ' ' SD ' ' A' ' 39' ' ' MET . 4.3 m-85 -125.83 173.36 9.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.946 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.497 ' N ' ' SD ' ' A' ' 39' ' ' MET . 21.9 ttp180 -75.56 149.55 38.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.435 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 27.0 t70 -91.67 38.8 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -127.36 165.34 19.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.814 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -48.9 106.39 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.535 ' H ' ' CD2' ' A' ' 50' ' ' HIS . 4.4 p80 -105.32 174.48 5.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.826 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -109.29 178.92 4.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.936 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 52' ' ' THR . 4.7 m 51.46 36.63 17.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.175 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.6 p30 -121.98 175.38 6.35 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -67.54 154.32 41.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.86 94.93 5.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' CG ' ' O ' ' A' ' 59' ' ' ARG . 2.3 p30 -90.07 143.07 29.29 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -52.11 0.35 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.726 2.284 . . . . 0.0 112.306 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -135.04 40.63 2.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.414 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 0.0 OUTLIER -133.57 63.31 1.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.569 ' CG ' ' O ' ' A' ' 60' ' ' TRP . 2.3 p90 -136.52 115.46 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.942 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.5 p -175.4 178.5 1.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.882 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.41 136.13 20.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.527 0.68 . . . . 0.0 110.896 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 170.01 17.54 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.703 2.269 . . . . 0.0 112.33 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -173.36 129.56 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.38 130.13 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.5 ptp180 -175.12 114.79 0.15 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.8 m -172.45 130.76 0.57 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.8 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.457 ' CD1' ' O ' ' A' ' 68' ' ' LEU . 0.3 OUTLIER -111.63 44.86 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.961 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tt -128.43 70.18 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.971 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -132.44 65.28 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.8 mtm -115.24 84.87 2.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -127.79 177.64 6.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 142.17 78.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.543 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -82.22 39.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.962 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -135.69 106.64 6.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 77' ' ' ALA . 1.5 t70 -82.27 39.51 0.59 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' C ' ' A' ' 78' ' ' GLN . . . 36.4 50.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.065 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 77' ' ' ALA . 20.4 pt20 32.6 55.01 0.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.29 -32.26 6.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.87 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.5 p -119.1 145.61 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.07 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.74 HD13 ' HA ' ' A' ' 93' ' ' LEU . 0.5 OUTLIER -80.27 110.12 15.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -146.92 154.76 41.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.531 ' O ' ' N ' ' A' ' 87' ' ' GLY . 27.1 t -102.27 103.84 14.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.822 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.8 ttm -54.2 -44.18 71.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.408 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 2.4 t80 -39.25 -65.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.968 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 27.9 p -102.52 -49.38 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 110.83 82.89 1.33 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.517 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.544 ' O ' ' CE1' ' A' ' 90' ' ' PHE . 15.7 m-70 -141.18 109.88 6.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.789 0.328 . . . . 0.0 110.844 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.0 p -75.95 138.96 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.544 ' CE1' ' O ' ' A' ' 88' ' ' HIS . 79.6 m-85 -125.16 -175.6 3.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -108.7 -44.42 4.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.549 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -115.68 146.66 41.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.74 ' HA ' HD13 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -52.45 -45.93 66.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.2 tm0? -44.7 -49.63 10.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -60.26 -47.81 84.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.729 HD22 ' HB3' ' A' ' 81' ' ' LEU . 60.8 tp -58.46 -56.59 20.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.61 -61.11 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 15.0 t -39.25 -62.58 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.508 ' CD2' ' N ' ' A' ' 100' ' ' MET . 6.1 t60 -47.12 -65.96 0.48 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.508 ' N ' ' CD2' ' A' ' 99' ' ' HIS . 55.2 mtp -41.98 -32.12 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.893 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 21.4 mt -79.94 -60.11 2.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.165 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -51.11 -49.58 60.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 17.2 p -79.47 12.31 2.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.09 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.35 37.24 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.905 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.476 ' O ' HG12 ' A' ' 109' ' ' VAL . 11.3 m170 -82.28 -29.84 30.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.825 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -75.7 -30.6 59.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 108' ' ' LYS . 8.8 tm0? -74.04 -70.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.94 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 107' ' ' GLN . 2.1 mptp? -36.59 -67.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 105' ' ' HIS . 12.0 p -44.67 144.78 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.1 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 109' ' ' VAL . 63.8 m -34.79 114.16 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.417 ' HA3' ' HD2' ' A' ' 112' ' ' PRO . . . -155.25 -135.54 2.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.489 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.417 ' HD2' ' HA3' ' A' ' 111' ' ' GLY . 54.0 Cg_endo -69.69 -173.74 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.3 t -140.97 -176.94 4.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 86.7 p -117.19 -57.47 2.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.813 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.475 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t -172.3 123.79 0.49 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.945 0.402 . . . . 0.0 110.832 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -152.16 175.19 12.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.817 -179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.74 147.36 41.64 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -123.07 125.32 44.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.92 0.39 . . . . 0.0 110.817 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 86.2 p -171.1 175.55 4.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.911 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.43 103.75 0.17 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.2 mtmt -136.96 157.28 47.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.892 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.488 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.1 pp -89.67 127.59 35.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.953 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -94.37 171.92 8.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 76.33 41.07 26.85 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.456 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.7 p -130.91 83.5 2.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.702 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.8 pp -120.33 131.04 73.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.154 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -97.93 123.23 41.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' GLY . 9.8 p -80.45 41.79 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' THR . . . 34.26 -112.7 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.468 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -167.39 145.93 4.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.775 0.321 . . . . 0.0 111.138 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.0 m -129.62 106.52 8.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -110.51 -47.0 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.404 ' HB3' HD22 ' A' ' 35' ' ' LEU . 37.4 m-85 -111.34 137.31 49.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 18.5 mtp180 -129.37 138.84 51.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 39.0 t -79.76 140.28 36.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -63.88 1.03 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.943 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.491 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.9 m-20 -48.47 -69.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 13.7 p -96.99 178.16 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.3 t -100.68 41.93 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.831 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.45 109.9 22.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.027 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.01 156.35 16.96 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.533 ' CD2' ' HA ' ' A' ' 35' ' ' LEU . 67.1 m-85 -140.44 157.57 45.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.48 -47.58 15.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.829 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -113.06 151.9 30.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.125 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.7 tp -60.59 -42.35 96.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.905 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -49.75 -24.14 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.507 ' O ' HG12 ' A' ' 37' ' ' VAL . 8.4 mm-40 -87.92 -34.87 17.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.94 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.533 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 25.4 tp -73.28 -56.08 5.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.6 p -45.81 -56.45 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 34' ' ' GLU . 7.7 p -46.83 -30.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.157 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -82.92 -38.17 23.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 32.8 mtm -60.69 -29.46 69.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -89.5 -54.18 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -44.22 -55.47 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.7 p -89.48 -43.89 10.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.138 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.97 -27.03 4.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.528 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.491 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 36.4 m170 -43.8 165.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.834 0.35 . . . . 0.0 110.832 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -138.49 162.81 33.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -57.35 169.55 0.6 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.83 -46.77 3.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.83 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -54.87 150.22 10.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.9 m120 53.36 46.45 26.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 3.4 p80 -49.97 177.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -80.3 176.79 9.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.8 p -56.61 170.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.079 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 10.5 t70 -61.56 157.18 17.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.402 ' N ' ' OD1' ' A' ' 53' ' ' ASP . 33.5 m-80 -57.06 178.88 0.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 56' ' ' ASN . 8.3 t30 -103.74 117.15 33.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 58' ' ' LYS . 7.8 t30 -34.18 140.74 0.26 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.674 0.75 . . . . 0.0 110.852 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.534 ' O ' ' C ' ' A' ' 58' ' ' LYS . 54.0 Cg_endo -69.78 20.49 0.18 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.737 2.291 . . . . 0.0 112.293 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.534 ' C ' ' O ' ' A' ' 57' ' ' PRO . 72.9 mttt -25.05 100.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.896 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 4.2 ptt180 -112.2 19.47 17.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -76.6 84.64 3.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -167.22 180.0 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 151.39 84.34 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.578 0.704 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 -171.72 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.602 2.201 . . . . 0.0 112.33 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -73.62 175.6 6.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 ptpt -49.02 174.95 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -50.93 171.48 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.9 m -141.4 166.58 24.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.484 ' C ' HD12 ' A' ' 69' ' ' LEU . 1.5 mm? -115.89 39.22 3.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD12 ' C ' ' A' ' 68' ' ' LEU . 4.1 mp -147.06 117.74 7.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -148.91 117.44 6.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 20.5 mmt -132.28 104.68 6.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -132.26 162.34 31.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.829 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 124.43 82.06 0.51 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.48 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 54.2 mmtt -96.01 41.7 1.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -129.98 89.5 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -93.87 39.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.04 42.41 1.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.047 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -118.12 -50.58 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.976 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.9 mtmt -56.98 -49.73 74.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.425 HG22 ' N ' ' A' ' 81' ' ' LEU . 12.3 p -142.79 154.41 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.113 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.497 ' O ' HD23 ' A' ' 96' ' ' LEU . 7.5 mt -71.66 96.36 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.947 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.423 ' C ' HD21 ' A' ' 96' ' ' LEU . 27.2 ttpp -133.7 158.9 42.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 87' ' ' GLY . 51.6 t -97.32 112.22 24.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 7.2 tpp -51.6 -39.63 58.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.834 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.448 ' CD1' ' CE1' ' A' ' 105' ' ' HIS . 3.1 t80 -50.75 -72.49 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.996 0.427 . . . . 0.0 110.954 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.427 ' SG ' ' CE1' ' A' ' 88' ' ' HIS . 2.7 p -83.83 -57.77 3.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.9 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 108.46 60.24 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.438 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.499 ' O ' ' CD2' ' A' ' 88' ' ' HIS . 0.4 OUTLIER -131.15 97.11 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.866 0.365 . . . . 0.0 110.85 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.429 ' HA ' ' O ' ' A' ' 81' ' ' LEU . 93.9 p -70.23 126.92 31.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.824 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.411 ' CD2' HD22 ' A' ' 96' ' ' LEU . 70.0 m-85 -104.47 162.82 12.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -98.51 21.23 11.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.866 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 49.7 m -156.22 132.84 10.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.9 -179.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.529 ' O ' HD23 ' A' ' 93' ' ' LEU . 2.1 tt -57.78 -32.93 68.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.61 ' O ' HG23 ' A' ' 98' ' ' VAL . 16.7 tp60 -66.8 -42.28 86.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.957 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -59.92 -38.64 82.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.497 HD23 ' O ' ' A' ' 81' ' ' LEU . 0.2 OUTLIER -77.17 -68.25 0.63 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 m -43.7 -38.48 3.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 94' ' ' GLN . 11.4 t -61.92 -67.26 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.138 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.401 ' CE1' ' HE1' ' A' ' 88' ' ' HIS . 13.2 t60 -44.72 -53.16 7.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.467 ' HG2' HD13 ' A' ' 96' ' ' LEU . 4.3 mmt -39.78 -42.13 1.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.7 mt -86.59 -61.8 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.419 ' HG3' HG13 ' A' ' 98' ' ' VAL . 7.1 mtpt -40.52 -33.84 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.3 p -107.8 -19.1 13.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.154 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.44 40.49 10.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.826 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.448 ' CE1' ' CD1' ' A' ' 85' ' ' TYR . 4.0 m170 -72.5 -52.1 17.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.857 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -58.05 -18.2 22.94 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -93.36 -46.34 7.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.429 ' O ' ' C ' ' A' ' 109' ' ' VAL . 30.3 mmtt -67.17 -50.69 60.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.922 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.451 ' O ' ' C ' ' A' ' 110' ' ' SER . 8.1 p -35.8 143.2 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.14 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 109' ' ' VAL . 1.2 t -34.4 137.15 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -168.83 -168.44 30.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.476 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 116.12 4.41 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.262 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.4 t -169.63 142.74 2.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.871 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.2 p -174.89 174.91 2.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.802 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.504 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -154.13 151.12 28.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.868 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -173.36 172.17 3.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.95 135.0 1.81 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.528 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 m -150.95 151.37 32.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.852 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.1 m -118.66 -57.87 2.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.91 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.49 152.03 1.53 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -141.11 169.11 18.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.904 0.383 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 tp -116.65 129.94 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -80.27 163.25 24.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.53 113.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.545 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -105.4 83.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.862 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.6 pt -101.67 132.61 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -104.48 41.75 1.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.2 t -122.93 -2.15 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.061 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.72 -120.2 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.01 174.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 0.0 111.071 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.469 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 88.0 p -155.25 122.06 5.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.806 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.2 mmmt -73.73 -64.58 0.97 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 61.5 m-85 -92.4 166.3 12.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.553 ' HG2' ' HB2' ' A' ' 28' ' ' ALA . 88.9 mtt180 -152.53 154.97 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.827 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 8.6 t -100.67 135.76 41.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 47' ' ' ASP . 0.0 OUTLIER -72.49 -63.35 1.17 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.938 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.534 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 2.6 m-20 -44.79 -69.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.844 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.7 p -94.29 -177.65 4.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.7 t -109.32 43.15 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.833 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -106.27 111.67 24.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.153 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.553 ' HB2' ' HG2' ' A' ' 21' ' ' ARG . . . -99.97 160.67 14.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.081 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 63.9 m-85 -141.96 155.41 45.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -68.81 -47.87 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 12.4 p -113.58 155.46 25.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 10.8 tp -63.0 -48.11 80.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.965 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.6 m -43.16 -37.27 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -71.81 -37.53 70.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 17.9 tp -73.72 -54.88 7.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.876 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.487 HG23 ' HG ' ' A' ' 32' ' ' LEU . 25.1 p -42.15 -67.3 0.27 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.123 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.461 HG13 ' N ' ' A' ' 38' ' ' HIS . 7.3 p -37.51 -43.54 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.461 ' N ' HG13 ' A' ' 37' ' ' VAL . 6.7 t60 -70.26 -47.2 62.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.403 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 31.7 mtm -50.26 -41.09 49.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -82.76 -43.45 16.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.937 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -50.64 -44.69 57.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 68.9 p -98.87 -47.65 5.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.155 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.05 -36.58 1.73 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.488 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.534 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 12.0 m170 -38.4 156.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -132.19 170.35 15.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.973 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.403 ' N ' ' SD ' ' A' ' 39' ' ' MET . 31.1 tpt85 -57.44 147.68 25.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.408 ' HB2' ' CB ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -85.65 -52.04 6.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -46.55 124.54 6.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.443 ' O ' HG23 ' A' ' 52' ' ' THR . 11.7 p30 -65.32 -40.12 93.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -48.24 -32.87 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -100.98 117.52 35.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 49' ' ' ASN . 71.4 p -142.09 143.06 32.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.128 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 53' ' ' ASP . 0.3 OUTLIER -96.63 -26.85 15.06 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -62.31 141.84 58.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 45.2 t30 -75.91 -30.96 58.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.48 ' OD1' ' C ' ' A' ' 56' ' ' ASN . 5.0 t-20 -104.37 96.57 10.21 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.656 0.741 . . . . 0.0 110.943 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 -30.21 22.43 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.66 2.24 . . . . 0.0 112.37 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 56' ' ' ASN . 14.2 pttp -68.61 108.44 3.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 60' ' ' TRP . 12.1 ttm180 -49.69 176.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.403 ' O ' ' O ' ' A' ' 59' ' ' ARG . 67.4 m95 -48.49 178.43 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.968 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.6 p -69.55 152.68 44.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.35 162.83 0.22 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.599 0.714 . . . . 0.0 110.91 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 176.06 7.3 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.644 2.229 . . . . 0.0 112.321 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -102.46 21.83 14.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 66' ' ' ARG . 16.8 mmtp -97.07 176.91 5.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 65' ' ' LYS . 24.1 mtp180 -33.81 134.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.403 ' O ' HD22 ' A' ' 69' ' ' LEU . 2.1 m -175.5 -175.08 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 2.1 mp 42.2 27.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD22 ' O ' ' A' ' 67' ' ' SER . 4.1 mm? -51.1 -179.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -93.95 110.57 22.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.2 mmt -131.83 177.36 7.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.9 mp0 -92.23 105.52 17.72 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.919 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -154.64 -140.97 3.14 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.551 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -175.2 105.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.752 0.31 . . . . 0.0 110.894 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -104.24 47.21 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -131.2 37.52 3.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -116.2 42.22 2.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.173 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -131.84 43.53 3.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.1 tttp -127.99 -62.2 1.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.3 p -159.45 143.93 6.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.066 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 7.5 mt -40.97 103.6 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.872 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 11.2 tttt -132.08 154.34 49.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 20.2 t -90.46 154.64 19.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.4 mtp -99.48 -33.87 10.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.931 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -62.09 -59.39 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.97 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 29.4 p -102.29 -50.1 3.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.942 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 102.84 68.72 0.8 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.46 ' HB3' ' CZ ' ' A' ' 90' ' ' PHE . 6.1 t60 -115.19 136.97 52.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.804 0.335 . . . . 0.0 110.836 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 82.8 p -88.99 120.16 30.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.574 ' CD1' HD23 ' A' ' 96' ' ' LEU . 15.9 m-85 -111.75 177.22 4.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 92' ' ' SER . 11.6 pt-20 -110.69 -48.27 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 91' ' ' GLU . 0.9 OUTLIER -109.27 149.25 29.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.844 -179.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.416 ' O ' HD23 ' A' ' 93' ' ' LEU . 2.1 tt -52.84 -45.86 67.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.861 ' O ' HG12 ' A' ' 98' ' ' VAL . 0.4 OUTLIER -44.64 -61.28 1.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.913 179.9 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.404 ' HA ' ' CG1' ' A' ' 98' ' ' VAL . 14.5 m-20 -44.75 -27.98 0.57 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.574 HD23 ' CD1' ' A' ' 90' ' ' PHE . 0.5 OUTLIER -80.82 -61.52 1.94 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.901 -179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.8 t -52.8 -31.97 41.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.1 p -82.06 -39.32 16.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.193 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -57.17 -58.37 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.827 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 104' ' ' LYS . 1.8 mmt -50.26 -63.61 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.96 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 83.8 mt -48.02 -39.76 8.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.119 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.8 mttm -62.77 -47.68 82.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.953 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 104' ' ' LYS . 66.0 p -101.45 24.06 10.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.245 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.452 ' C ' ' O ' ' A' ' 103' ' ' THR . 15.0 ttpt 33.11 50.04 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.878 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 28.5 m170 -84.9 -37.56 20.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.593 ' O ' HG22 ' A' ' 109' ' ' VAL . 6.6 p90 -70.04 -41.56 74.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.897 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 3.5 tt0 -71.96 -36.27 69.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -81.31 40.44 0.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 106' ' ' TYR . 35.1 m -106.82 -38.01 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.176 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 3.8 t -95.63 175.82 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.44 140.08 8.51 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.44 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 -171.83 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.69 2.26 . . . . 0.0 112.382 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 15.6 m -140.87 174.09 10.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.893 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.8 t -96.48 178.38 5.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.822 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.506 -179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 m -141.13 153.42 45.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -173.45 141.14 0.87 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.58 -150.13 6.64 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.559 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.8 t -157.71 153.74 27.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.865 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -151.9 152.02 32.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.809 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.25 162.81 36.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 mmtp -122.86 134.64 54.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.832 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -64.59 163.76 13.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -105.26 174.38 5.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -144.58 103.45 0.3 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.428 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.0 m -65.62 82.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.834 0.349 . . . . 0.0 110.879 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.452 ' O ' HD12 ' A' ' 13' ' ' ILE . 2.6 pp -54.04 145.81 3.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.073 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -127.02 172.87 10.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.9 m -150.15 110.71 4.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.127 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -67.19 160.09 49.18 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.474 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -130.13 148.11 51.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.329 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -156.7 126.31 6.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 mptt -42.84 -55.74 3.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 58.1 m-85 -108.43 165.86 11.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -150.38 150.51 31.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.39 138.59 33.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -77.18 -65.15 0.99 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.424 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -40.35 -67.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.868 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.3 p -103.59 -177.8 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.1 m -103.57 40.81 1.36 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -105.55 107.48 18.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.104 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -97.27 166.73 11.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.112 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 45.4 m-85 -141.19 159.05 43.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.961 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -80.31 -43.12 21.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 33.3 p -113.03 145.41 40.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.178 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 65.4 tp -61.57 -53.14 60.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.407 HG23 ' N ' ' A' ' 34' ' ' GLU . 34.3 m -40.76 -39.61 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' N ' HG23 ' A' ' 33' ' ' VAL . 25.9 mm-40 -72.62 -42.19 64.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.8 tp -61.28 -57.0 14.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.2 p -38.22 -58.88 0.93 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.475 HG12 ' OE1' ' A' ' 41' ' ' GLU . 55.3 t -43.5 -50.67 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.196 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.435 ' HA ' ' CD ' ' A' ' 41' ' ' GLU . 26.8 t60 -64.05 -34.92 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.852 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.4 mtm -63.21 -37.98 89.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 42.7 m-80 -88.78 -56.12 3.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.61 ' CG ' HG23 ' A' ' 42' ' ' THR . 6.8 pt-20 -39.84 -39.94 0.89 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.61 HG23 ' CG ' ' A' ' 41' ' ' GLU . 33.3 p -102.83 -36.49 8.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.109 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 119.23 -21.87 9.19 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.451 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.424 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 43.1 m170 -47.25 164.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.83 0.347 . . . . 0.0 110.857 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -137.6 156.96 47.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.963 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.448 ' CZ ' ' NE2' ' A' ' 50' ' ' HIS . 9.2 ttt180 -53.9 173.3 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.94 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.75 -39.16 3.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.827 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -42.81 165.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.851 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -50.85 -71.1 0.07 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.448 ' NE2' ' CZ ' ' A' ' 46' ' ' ARG . 2.0 m-70 63.37 51.37 2.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -104.48 163.59 12.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.7 m -74.67 143.05 44.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.098 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -81.19 111.52 17.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -140.41 174.33 10.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.949 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' ASN . 14.4 p30 -145.48 166.09 26.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' ASN . 7.1 p30 -34.56 99.09 0.16 Allowed Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.603 0.716 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -17.56 37.19 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.704 2.269 . . . . 0.0 112.347 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 59' ' ' ARG . 23.4 mtpp -108.65 47.62 0.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 58' ' ' LYS . 31.6 ttp180 34.51 36.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.853 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.416 ' N ' ' O ' ' A' ' 58' ' ' LYS . 15.4 t-105 -99.95 97.63 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.0 m -141.56 140.66 33.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -67.08 144.15 98.23 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.532 0.682 . . . . 0.0 110.949 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.71 177.49 5.49 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.682 2.255 . . . . 0.0 112.429 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -163.45 128.4 2.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.96 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -78.4 133.73 37.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -175.01 155.93 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.6 m -153.95 173.98 15.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 5.2 mp -127.34 -61.66 1.13 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.7 mp 48.4 54.04 11.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.943 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -101.9 113.67 27.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -100.82 144.36 29.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -123.07 177.95 5.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.937 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -121.29 -144.09 6.84 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.454 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.491 ' C ' ' O ' ' A' ' 73' ' ' GLY . 11.1 ptmt 30.28 46.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.303 . . . . 0.0 110.959 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 74' ' ' LYS . 8.0 tt0 -34.2 146.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.976 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -47.17 106.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -119.28 77.81 1.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.077 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -132.76 44.24 2.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.937 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 42.8 mtmt -79.38 -37.8 36.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.449 ' O ' ' C ' ' A' ' 81' ' ' LEU . 6.6 p -153.7 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.59 HD13 ' HA ' ' A' ' 93' ' ' LEU . 15.4 mt -33.54 112.05 0.12 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.509 ' HD3' ' N ' ' A' ' 89' ' ' SER . 3.5 tppp? -143.87 146.35 32.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.481 ' O ' ' N ' ' A' ' 87' ' ' GLY . 41.9 t -91.67 107.3 19.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 15.2 ttm -51.86 -46.21 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.421 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 7.4 t80 -40.66 -73.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.925 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 10.3 p -91.86 -51.87 5.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 115.92 54.24 0.36 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.498 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.596 ' HB3' ' CE2' ' A' ' 90' ' ' PHE . 13.0 m-70 -108.4 119.07 38.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.509 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 69.7 p -91.53 107.64 19.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.621 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 68.5 m-85 -104.22 133.24 49.48 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.835 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -64.02 -42.58 97.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.859 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 23.7 m -98.06 140.51 32.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.818 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.59 ' HA ' HD13 ' A' ' 81' ' ' LEU . 39.7 tp -56.41 -45.96 80.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.919 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.765 ' O ' HG12 ' A' ' 98' ' ' VAL . 70.4 tp60 -48.53 -44.21 36.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.621 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.8 m-20 -59.83 -49.45 77.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.761 HD13 ' O ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -59.11 -49.52 77.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.955 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 100' ' ' MET . 21.0 t -67.1 -69.59 0.3 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.765 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.2 p -37.52 -30.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 97' ' ' SER . 2.2 t60 -66.33 -46.19 77.7 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 97' ' ' SER . 6.0 mtt -67.41 -22.45 65.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.832 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 12.0 mm -77.06 -30.95 18.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.156 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.8 mttm -89.4 -56.29 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.911 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.6 p -70.37 -14.36 62.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 108' ' ' LYS . 6.2 mptt 55.85 54.23 8.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.658 ' O ' HG12 ' A' ' 109' ' ' VAL . 30.6 m170 -91.11 -45.32 8.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.452 ' CE1' ' HG2' ' A' ' 107' ' ' GLN . 0.4 OUTLIER -65.57 -20.46 66.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.823 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.452 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 8.0 mm-40 -91.37 -41.48 10.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 104' ' ' LYS . 0.1 OUTLIER -63.71 -59.27 4.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.658 HG12 ' O ' ' A' ' 105' ' ' HIS . 7.7 p -44.78 -36.38 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.129 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.5 p -97.32 179.49 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -149.58 115.18 0.7 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.445 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -170.95 0.43 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.742 2.295 . . . . 0.0 112.305 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 2.1 t -159.36 172.71 17.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.825 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -158.86 166.07 32.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.867 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.541 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -167.98 155.81 8.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.886 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t -156.47 175.32 14.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.8 -159.0 15.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.51 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -156.12 140.39 16.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.903 0.382 . . . . 0.0 110.892 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -82.84 164.94 20.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.851 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.98 154.69 20.36 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.488 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -119.55 140.27 50.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -73.42 170.75 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.947 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 2.9 p90 -99.05 128.57 45.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -108.9 -163.76 20.45 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.443 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.5 p -171.81 124.84 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.839 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.1 pt -99.21 143.75 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -108.83 155.59 20.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 54.4 p -133.44 119.31 19.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.177 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.67 125.89 2.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.474 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.06 140.11 56.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.735 0.302 . . . . 0.0 111.111 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 35.2 p -122.54 118.46 28.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -56.66 -53.23 60.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.597 ' CE2' HD13 ' A' ' 32' ' ' LEU . 87.5 m-85 -107.64 149.23 28.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -141.23 117.31 10.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 44' ' ' HIS . 24.8 t -63.37 125.42 24.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.9 ttpp -86.34 25.88 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -125.94 -56.61 1.45 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.6 p -106.03 177.49 4.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.915 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.2 t -91.5 41.35 1.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -121.53 149.71 42.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.094 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -139.08 139.84 37.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -116.95 168.46 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -95.47 -43.55 7.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.793 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.0 p -101.13 156.57 17.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.597 HD13 ' CE2' ' A' ' 20' ' ' PHE . 39.5 tp -74.98 -41.38 59.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.864 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.444 HG13 ' OE2' ' A' ' 34' ' ' GLU . 2.8 p -53.43 -41.78 46.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.167 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' OE2' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -69.55 -34.21 73.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.965 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.452 HD22 ' HB3' ' A' ' 20' ' ' PHE . 20.7 tp -70.64 -61.97 1.57 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.024 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' VAL . 45.3 p -38.81 -68.56 0.16 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 36' ' ' THR . 7.4 p -35.54 -40.63 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.198 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.412 ' N ' HG13 ' A' ' 37' ' ' VAL . 6.4 t60 -74.47 -48.07 29.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.462 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 41.4 mtm -56.65 -45.49 81.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -68.35 -51.46 44.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -54.77 -62.45 1.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.6 p -71.46 -32.81 68.74 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.173 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 98.42 27.57 8.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.532 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 22' ' ' CYS . 62.4 m170 -91.87 -178.94 5.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.8 0.334 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -146.15 139.19 25.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.462 ' N ' ' SD ' ' A' ' 39' ' ' MET . 4.3 ptp180 -70.84 162.5 29.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.29 -42.38 13.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -40.94 114.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.541 ' ND2' ' H ' ' A' ' 50' ' ' HIS . 1.3 p-10 -65.17 -75.02 0.09 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.541 ' H ' ' ND2' ' A' ' 49' ' ' ASN . 18.5 m-70 52.93 38.58 27.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -104.82 167.74 9.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 56.1 p -83.43 170.79 14.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.172 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -66.68 172.22 4.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.84 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -120.05 23.18 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 56' ' ' ASN . 0.4 OUTLIER -126.24 -176.29 3.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.46 ' C ' ' O ' ' A' ' 55' ' ' ASN . 27.1 m120 -33.4 146.64 0.1 Allowed Pre-proline 0 C--N 1.33 -0.255 0 CA-C-O 121.699 0.761 . . . . 0.0 110.807 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 13.12 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.677 2.251 . . . . 0.0 112.339 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.452 ' O ' ' C ' ' A' ' 59' ' ' ARG . 0.0 OUTLIER 45.34 48.09 10.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 58' ' ' LYS . 7.7 ttm-85 -33.55 147.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.438 ' CH2' ' HA ' ' A' ' 63' ' ' PRO . 42.2 p-90 -68.31 173.88 4.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.1 p -43.35 167.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.886 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -55.81 154.28 14.17 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.559 0.695 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.499 ' O ' ' C ' ' A' ' 64' ' ' ARG . 53.1 Cg_endo -69.9 -171.71 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.264 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.499 ' C ' ' O ' ' A' ' 63' ' ' PRO . 40.8 mtt85 -29.61 140.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.821 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -51.21 165.04 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' O ' ' C ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -102.43 -174.43 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.463 ' C ' ' O ' ' A' ' 66' ' ' ARG . 71.6 p -33.7 130.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.859 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.623 ' H ' HD23 ' A' ' 68' ' ' LEU . 0.2 OUTLIER -83.11 21.85 1.04 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 68' ' ' LEU . 0.2 OUTLIER -36.58 -36.22 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -106.59 55.63 0.66 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 14.1 mtm -43.36 111.3 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -124.66 140.19 53.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -142.39 -128.1 2.25 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.56 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.0 ttmt -99.32 100.09 11.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.689 0.28 . . . . 0.0 110.903 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -45.7 171.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.401 ' O ' ' N ' ' A' ' 78' ' ' GLN . 1.5 p30 -81.03 15.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -56.63 87.02 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.401 ' N ' ' O ' ' A' ' 76' ' ' ASP . 5.2 pt20 -123.55 50.49 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.466 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 12.4 pttp -90.0 -36.26 15.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.952 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.466 ' N ' ' HG3' ' A' ' 79' ' ' LYS . 7.4 p -121.42 143.0 35.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.127 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.9 mt -69.61 104.6 2.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -124.62 150.15 46.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.511 ' O ' ' N ' ' A' ' 87' ' ' GLY . 34.7 t -100.92 103.34 14.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.445 ' O ' ' C ' ' A' ' 85' ' ' TYR . 0.0 OUTLIER -54.64 -48.33 72.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.893 179.863 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.632 ' CE1' ' CD2' ' A' ' 105' ' ' HIS . 4.0 t80 -34.26 -67.93 0.12 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.402 ' HB3' ' CE1' ' A' ' 105' ' ' HIS . 28.0 p -101.37 -49.28 4.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 111.88 73.29 0.67 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.446 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -131.49 150.14 52.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.748 0.309 . . . . 0.0 110.919 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.1 p -100.88 155.46 17.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.636 ' CD1' HD23 ' A' ' 96' ' ' LEU . 63.8 m-85 -150.16 172.22 15.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.923 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -96.62 -57.98 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.3 m -110.92 171.59 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' LEU . 16.8 mt -65.96 -53.06 43.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.54 ' O ' HG23 ' A' ' 98' ' ' VAL . 40.4 tp60 -36.94 -51.31 0.91 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -56.89 -41.48 78.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.636 HD23 ' CD1' ' A' ' 90' ' ' PHE . 2.7 tm? -68.13 -54.56 17.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 56.5 m -51.94 -52.3 51.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 94' ' ' GLN . 80.9 t -53.45 -58.95 2.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.107 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -46.74 -52.01 14.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.47 ' HG3' HD13 ' A' ' 96' ' ' LEU . 5.2 mmm -56.78 -71.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 31.0 mt -44.05 -37.56 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 43.8 mttt -70.31 -35.24 73.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 78.6 p -105.53 15.99 26.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 100' ' ' MET . 87.1 mttt 42.25 42.77 2.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.971 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.632 ' CD2' ' CE1' ' A' ' 85' ' ' TYR . 22.0 m170 -85.92 -30.49 22.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 107' ' ' GLN . 0.2 OUTLIER -82.99 -25.13 32.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.992 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.526 ' N ' ' CD1' ' A' ' 106' ' ' TYR . 2.3 tt0 -64.35 -44.8 90.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.462 ' HD3' ' CE2' ' A' ' 85' ' ' TYR . 11.5 mtpt -47.65 -38.98 15.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 92.7 t -76.35 147.51 7.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.135 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.7 t -83.59 151.17 25.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.828 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 109.86 109.18 3.2 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 113' ' ' SER . 53.5 Cg_endo -69.79 -51.04 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.739 2.293 . . . . 0.0 112.325 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 112' ' ' PRO . 88.3 p 32.98 45.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 115' ' ' GLY . 3.2 p -134.11 -56.8 0.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 114' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.548 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.8 t -170.28 144.65 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.2 p -169.32 152.31 4.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.829 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.6 110.16 1.14 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.516 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -156.99 156.5 33.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.6 t -133.54 173.44 11.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -155.47 150.23 21.6 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.14 136.18 49.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 9' ' ' LEU . 4.0 mm? -57.19 144.9 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.2 m-85 -92.42 133.25 36.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -92.28 108.14 3.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.452 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.8 m -96.18 91.86 6.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.832 0.349 . . . . 0.0 110.883 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.776 ' H ' HD12 ' A' ' 13' ' ' ILE . 5.2 mp -51.87 137.36 10.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.169 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -109.0 142.34 39.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.3 m -136.18 126.64 26.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.142 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -166.83 109.49 0.35 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -124.64 171.64 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.114 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -167.76 117.73 0.81 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.6 mptt -55.47 -56.26 22.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.941 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -109.73 155.22 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -141.29 132.43 26.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.473 ' O ' ' C ' ' A' ' 23' ' ' LYS . 1.8 t -85.64 74.99 10.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.497 ' O ' ' C ' ' A' ' 24' ' ' ASP . 10.9 tptm -31.98 -62.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.497 ' C ' ' O ' ' A' ' 23' ' ' LYS . 2.7 m-20 -30.09 -60.71 0.17 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 22' ' ' CYS . 29.1 p -106.17 -173.69 2.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 37.7 m -100.48 39.36 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.812 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.2 158.7 24.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -149.1 159.87 43.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.043 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.422 ' CD2' ' HA ' ' A' ' 35' ' ' LEU . 98.7 m-85 -138.96 166.92 23.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.21 -39.18 18.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.6 p -114.31 151.88 32.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.601 ' O ' HG22 ' A' ' 36' ' ' THR . 37.4 tp -64.95 -50.02 68.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.924 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.2 m -49.73 -29.99 5.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.15 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 63.1 mt-10 -81.75 -22.97 36.95 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 28.6 tp -86.84 -57.24 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.652 HG23 ' H ' ' A' ' 37' ' ' VAL . 1.3 t -44.12 -59.29 2.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.652 ' H ' HG23 ' A' ' 36' ' ' THR . 11.8 p -39.2 -28.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.149 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.444 ' N ' ' O ' ' A' ' 36' ' ' THR . 10.3 t60 -91.55 -37.9 12.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' THR . 51.7 mtm -68.89 -51.44 40.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -60.82 -38.51 85.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -63.94 -68.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 44.7 p -63.54 -48.04 79.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.192 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.57 -23.81 2.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.491 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -51.0 -177.88 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -159.96 178.36 9.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.891 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.5 tpt180 -47.85 159.68 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -95.07 28.96 2.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.13 171.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -48.36 -58.3 4.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -60.42 98.29 0.06 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.809 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -73.49 -75.68 0.14 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.2 t -128.18 -9.39 5.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 54' ' ' ASN . 1.1 p-10 -48.53 -26.03 1.98 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 53' ' ' ASP . 19.9 t-20 -37.55 -55.69 1.08 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -115.38 110.86 19.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -132.28 87.24 43.72 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.582 0.706 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.74 -25.38 28.73 Favored 'Trans proline' 0 N--CA 1.466 -0.142 0 C-N-CA 122.659 2.239 . . . . 0.0 112.391 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -116.71 101.43 8.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.8 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -98.17 154.38 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 1.7 p90 -69.19 82.85 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.4 m -108.35 32.23 4.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -126.14 151.42 71.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.527 0.68 . . . . 0.0 110.861 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.66 -179.8 3.12 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.331 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.9 ttp180 -141.71 139.8 33.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.8 ttpp -44.29 144.16 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ptp85 -125.57 159.39 32.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 51.3 p -73.04 174.12 8.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LEU . 0.3 OUTLIER -126.99 74.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.934 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.8 mp 36.89 53.29 1.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.861 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -50.38 101.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 30.1 mmt -74.05 170.14 16.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -108.78 177.27 4.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 178.78 131.04 1.51 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.465 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.3 ptpt -79.71 43.78 0.6 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.731 0.3 . . . . 0.0 110.858 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -95.23 30.55 2.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -89.18 38.94 0.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.91 48.86 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.074 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -93.04 -60.37 1.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.9 tttm -120.78 11.37 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 82' ' ' LYS . 2.5 t -107.07 151.63 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.087 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.711 HD13 ' HA ' ' A' ' 93' ' ' LEU . 9.1 mt -94.48 50.83 1.38 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.473 ' N ' HG12 ' A' ' 80' ' ' VAL . 18.8 ttpt -84.82 167.58 15.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.927 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.406 ' SG ' ' HB3' ' A' ' 85' ' ' TYR . 44.8 t -111.66 127.04 55.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.94 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 13.4 ttp -66.27 -28.73 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.437 ' CB ' ' HB3' ' A' ' 105' ' ' HIS . 22.0 t80 -63.7 -72.23 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.944 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.622 ' SG ' ' CE1' ' A' ' 88' ' ' HIS . 3.1 p -82.7 -59.48 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 110.45 68.25 0.57 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.451 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.622 ' CE1' ' SG ' ' A' ' 86' ' ' CYS . 0.3 OUTLIER -135.39 107.02 6.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.0 p -63.36 123.79 19.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.851 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.471 ' CE2' ' CD2' ' A' ' 88' ' ' HIS . 35.5 m-85 -108.2 -173.68 2.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.921 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -132.1 -31.62 1.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.831 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.2 m -103.41 123.96 47.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.711 ' HA ' HD13 ' A' ' 81' ' ' LEU . 12.3 tp -51.01 -33.95 27.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.901 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.686 ' O ' HG23 ' A' ' 98' ' ' VAL . 9.7 tp60 -62.66 -44.91 95.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.878 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -57.13 -33.97 67.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.577 HD13 ' C ' ' A' ' 96' ' ' LEU . 3.0 tm? -86.29 -65.13 1.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.955 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.477 ' O ' HD13 ' A' ' 101' ' ' ILE . 28.5 t -43.91 -28.33 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 94' ' ' GLN . 97.1 t -85.62 -64.87 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.082 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.411 ' CE1' ' HE1' ' A' ' 88' ' ' HIS . 7.1 t60 -37.09 -52.14 0.98 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.495 ' O ' ' N ' ' A' ' 104' ' ' LYS . 30.5 mmm -43.56 -54.19 5.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 97' ' ' SER . 2.4 mp -71.74 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.117 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -38.38 -42.38 0.72 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 63.1 p -99.09 -18.61 17.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.158 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.3 OUTLIER 63.83 38.28 9.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.437 ' HB3' ' CB ' ' A' ' 85' ' ' TYR . 11.6 m170 -65.79 -47.86 73.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.476 ' CG ' ' N ' ' A' ' 107' ' ' GLN . 10.1 p90 -60.12 -44.79 94.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.924 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.476 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 3.0 tt0 -33.76 -37.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 106' ' ' TYR . 28.0 mttp -81.54 40.55 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.972 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.415 ' N ' ' O ' ' A' ' 106' ' ' TYR . 86.0 t -143.03 133.2 22.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 46.8 t -63.5 112.44 2.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 157.0 166.35 16.43 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.73 -172.51 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.67 2.247 . . . . 0.0 112.329 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 8.4 t -151.69 175.91 11.91 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.821 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.8 p -168.51 177.71 5.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.814 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.476 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.412 0 N-CA-C 112.581 -0.207 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.1 t -122.43 88.22 2.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.816 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.3 p -121.31 -50.1 2.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.8 -179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 77.99 -172.03 55.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -166.16 177.31 7.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.898 0.38 . . . . 0.0 110.834 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.1 p -93.39 136.36 33.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.0 129.7 9.21 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.499 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -114.47 121.3 43.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.758 0.313 . . . . 0.0 110.894 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.4 tp -115.47 146.66 41.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.896 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -113.51 141.4 47.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -99.1 170.76 23.93 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.438 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 7.7 t -161.44 111.97 1.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.847 0.356 . . . . 0.0 110.789 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 pt -94.15 142.2 13.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 83.7 t80 -89.16 135.69 33.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 88.5 m -132.64 115.43 15.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 157.82 97.6 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.65 137.98 53.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.808 0.337 . . . . 0.0 111.07 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.4 p -131.85 106.22 7.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -71.43 -50.61 30.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.523 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 30.0 m-85 -102.9 167.72 9.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.859 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 45.1 mtt-85 -148.41 151.24 34.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.8 t -102.65 130.64 49.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -65.03 0.78 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.925 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.452 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . 13.5 t0 -43.52 -69.03 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.829 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 14.5 p -94.8 164.56 12.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.9 t -95.04 40.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -109.61 121.01 44.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.27 163.73 12.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -138.59 159.39 42.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.992 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -82.75 -45.25 14.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.7 p -109.02 150.36 27.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.523 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 34.9 tp -66.92 -50.81 61.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.918 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.8 m -46.95 -28.12 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.093 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -80.92 -35.55 32.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.3 tp -75.94 -49.93 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 39' ' ' MET . 33.3 p -46.4 -65.09 0.61 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.169 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.582 HG22 ' OE2' ' A' ' 41' ' ' GLU . 13.1 p -41.17 -31.48 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.148 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -83.27 -36.7 24.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.825 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.491 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 34.1 mtm -62.8 -44.79 95.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.891 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 38.0 m-80 -74.3 -39.51 62.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.582 ' OE2' HG22 ' A' ' 37' ' ' VAL . 19.6 mt-10 -56.84 -61.41 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 53.9 p -81.52 -38.8 25.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.157 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 111.76 23.64 5.55 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.543 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 41.4 m170 -88.41 -174.28 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.543 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 21.9 m-85 -143.92 157.09 44.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.99 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.491 ' N ' ' SD ' ' A' ' 39' ' ' MET . 32.9 ptt-85 -82.31 36.85 0.48 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.458 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 22.2 t70 40.95 34.71 0.29 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -56.53 154.65 8.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 38.1 t-20 -75.77 -59.34 2.8 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -46.0 113.17 0.57 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.824 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.76 141.92 47.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.829 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.3 p -101.44 -2.23 31.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -110.44 92.11 3.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -162.96 172.15 15.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.823 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -70.98 -49.93 39.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.448 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 14.6 t30 56.99 55.01 7.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.661 0.743 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' CD ' ' N ' ' A' ' 56' ' ' ASN . 54.4 Cg_endo -69.69 -0.45 6.87 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.67 49.15 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 34.2 ttp180 -133.89 150.62 51.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -59.42 105.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 m -136.4 166.08 24.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.929 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.04 154.89 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.585 0.707 . . . . 0.0 110.869 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 178.69 4.3 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 0.0 112.361 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.457 ' O ' ' C ' ' A' ' 65' ' ' LYS . 9.7 ttp180 -56.24 161.43 2.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 64' ' ' ARG . 6.6 mmpt? -34.02 105.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.825 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -62.1 176.31 0.6 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.1 m -50.35 174.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.907 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -84.8 -71.49 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.936 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 69' ' ' LEU . 3.4 mm? -120.51 118.59 30.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.409 ' C ' ' HG2' ' A' ' 71' ' ' MET . 13.9 pt-20 -140.29 108.36 5.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.409 ' HG2' ' C ' ' A' ' 70' ' ' GLU . 11.0 mmt -148.65 110.19 4.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -116.58 87.78 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.816 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -179.19 118.96 0.62 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 3.1 mptp? -87.19 40.8 0.94 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.731 0.301 . . . . 0.0 110.884 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -130.96 107.43 9.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -87.37 43.84 1.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.813 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 53.17 39.35 29.51 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.108 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -131.62 94.14 3.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -86.3 44.09 1.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.95 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.547 HG12 ' H ' ' A' ' 81' ' ' LEU . 1.0 OUTLIER -88.26 173.08 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.091 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.627 ' O ' HD23 ' A' ' 96' ' ' LEU . 3.6 mt -75.05 55.45 0.72 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.959 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -92.37 159.55 15.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.431 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 11.8 t -93.63 143.83 25.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.7 ttp -83.48 -34.41 25.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.639 ' CD2' ' CE1' ' A' ' 105' ' ' HIS . 35.2 t80 -68.88 -75.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.96 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.509 ' N ' ' CD2' ' A' ' 85' ' ' TYR . 29.8 p -90.65 -47.71 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.949 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 98.97 91.42 2.01 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.456 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.41 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 6.6 t-160 -131.08 104.98 7.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.86 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 59.1 p -62.44 142.1 58.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.5 ' CD1' ' CG ' ' A' ' 95' ' ' ASP . 78.4 m-85 -136.04 -178.76 5.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -110.37 -45.86 3.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 98.7 p -113.29 143.82 43.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.612 ' HA ' HD13 ' A' ' 81' ' ' LEU . 13.7 tp -50.37 -44.28 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 93' ' ' LEU . 48.2 tp60 -36.16 -55.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.861 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.5 ' CG ' ' CD1' ' A' ' 90' ' ' PHE . 4.7 t0 -50.42 -62.51 1.55 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.1 tm? -47.16 -60.04 2.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.981 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 22.8 t -48.42 -31.25 5.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.833 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 99' ' ' HIS . 6.8 t -82.89 -68.87 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.182 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.453 ' N ' HG12 ' A' ' 98' ' ' VAL . 9.6 t60 -33.75 -45.72 0.19 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.425 ' HG2' HD13 ' A' ' 96' ' ' LEU . 16.5 mmm -54.6 -64.3 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 76.1 mt -54.96 -45.22 76.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.9 mttm -51.03 -53.86 29.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.462 ' O ' ' C ' ' A' ' 104' ' ' LYS . 37.9 p -98.08 21.41 10.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.152 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.526 ' CG ' ' O ' ' A' ' 104' ' ' LYS . 6.6 pttt 33.04 45.17 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.639 ' CE1' ' CD2' ' A' ' 85' ' ' TYR . 35.6 m170 -78.6 -25.91 45.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.844 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.423 ' CG ' ' N ' ' A' ' 107' ' ' GLN . 2.3 p90 -64.35 -42.67 96.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.985 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 108' ' ' LYS . 3.9 pt20 -67.12 -40.11 86.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 107' ' ' GLN . 1.7 mmmp? -39.99 -56.47 1.83 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 109' ' ' VAL . 4.2 m -76.74 121.6 29.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.1 t -146.57 -176.9 5.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -144.75 147.34 18.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.507 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 123.4 10.09 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.747 2.298 . . . . 0.0 112.359 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 114' ' ' SER . 88.7 p -86.34 -48.58 8.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.825 -179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 113' ' ' SER . 54.0 p -36.31 149.4 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.494 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.6 m -137.98 152.43 48.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 0.0 110.816 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -170.48 166.75 8.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.854 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.87 -151.86 9.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.494 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -157.72 122.77 4.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.859 0.362 . . . . 0.0 110.853 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -159.39 125.23 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.887 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.72 -64.89 0.53 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.454 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -122.21 92.27 3.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.754 0.311 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -95.1 32.28 1.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -101.43 136.42 41.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -173.24 55.94 0.15 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.496 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 58.6 m -126.5 95.56 4.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.891 0.377 . . . . 0.0 110.843 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 61.0 mt -44.92 141.63 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.159 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -52.1 177.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.3 p -119.46 112.81 19.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.114 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -154.97 174.49 33.2 Favored Glycine 0 C--N 1.331 0.262 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.424 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -145.36 147.48 32.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 0.0 111.057 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.5 m -59.2 95.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mptt -47.43 -50.99 21.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.631 ' HB3' HD22 ' A' ' 35' ' ' LEU . 25.4 m-85 -111.04 164.91 12.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -156.14 134.34 11.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 23' ' ' LYS . 13.9 t -93.58 78.82 4.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 22' ' ' CYS . 9.1 tttt -33.93 -54.53 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.848 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.2 m-20 -34.2 -61.97 0.35 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.87 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.5 p -106.55 -177.77 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 84.4 p -96.02 39.68 1.14 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -120.66 148.95 43.24 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -137.61 170.26 16.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.197 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -147.81 168.76 21.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.898 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -98.86 -39.91 8.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 22.7 p -104.05 147.8 26.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.081 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.574 HD13 ' CE2' ' A' ' 20' ' ' PHE . 48.3 tp -67.88 -46.43 71.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG13 ' CD ' ' A' ' 34' ' ' GLU . 4.4 p -49.32 -38.85 12.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.083 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.531 ' CD ' HG13 ' A' ' 33' ' ' VAL . 0.1 OUTLIER -70.36 -47.21 61.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.631 HD22 ' HB3' ' A' ' 20' ' ' PHE . 28.1 tp -60.15 -55.64 31.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -40.78 -61.43 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 33' ' ' VAL . 70.2 t -39.2 -51.21 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 30.2 t60 -64.81 -49.81 69.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.453 ' O ' ' C ' ' A' ' 43' ' ' GLY . 17.3 mtm -47.3 -45.66 24.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -80.22 -59.91 2.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.901 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -38.15 -41.41 0.59 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.3 p -100.01 -40.76 7.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.12 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 39' ' ' MET . . . 127.37 -32.52 3.53 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.593 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -43.97 167.38 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.817 0.342 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -134.59 172.8 12.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.7 mtm180 -56.34 177.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.32 -27.08 3.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.79 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -82.44 9.41 9.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -112.24 151.05 30.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -85.88 91.48 8.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.798 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -103.34 106.57 17.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 52' ' ' THR . 8.1 m 38.0 33.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.19 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -61.93 135.42 57.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 -105.49 -51.25 3.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -117.41 126.04 51.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.826 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -106.94 111.48 63.7 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.612 0.72 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.68 5.59 1.61 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.706 2.271 . . . . 0.0 112.323 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm 41.05 47.97 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.93 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 31.3 ttp180 -134.5 47.06 2.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.467 ' CG ' ' N ' ' A' ' 61' ' ' SER . 3.7 p90 -115.13 -43.36 3.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 60' ' ' TRP . 1.9 m -84.69 -176.11 6.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.833 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? -83.46 152.89 64.85 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.9 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -174.96 0.99 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 0.0 112.349 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -39.5 148.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -130.62 157.13 43.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.949 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 67' ' ' SER . 2.8 ttm180 -108.02 141.08 40.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 66' ' ' ARG . 15.7 m -88.45 -174.01 4.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 48.37 26.94 1.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tp -101.91 39.42 1.47 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.955 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 71' ' ' MET . 7.8 pt-20 -114.99 40.29 2.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.434 ' C ' ' O ' ' A' ' 70' ' ' GLU . 0.7 OUTLIER -34.65 146.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -106.72 61.47 0.63 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -106.7 -128.67 6.07 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' O ' ' C ' ' A' ' 75' ' ' GLU . 36.7 mmtm -112.66 42.26 1.88 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.767 0.318 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' LYS . 4.0 tm-20 35.52 41.29 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 37.8 t0 -146.72 134.86 21.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.3 -7.76 8.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.059 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -42.62 145.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.965 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.45 36.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.5 p -167.56 142.61 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.2 mt -65.3 107.92 1.76 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.932 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.2 mtpt -125.67 149.48 48.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.869 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 15.1 t -74.93 151.77 38.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 6.7 mtt -92.2 -35.13 14.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -68.12 -70.0 0.29 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 87' ' ' GLY . 28.7 p -93.78 -47.91 6.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 86' ' ' CYS . . . 97.94 87.05 1.86 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.416 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 5.2 t60 -126.28 119.09 26.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.681 0.277 . . . . 0.0 110.867 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 38.7 p -68.56 118.4 11.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.416 ' CD2' ' O ' ' A' ' 88' ' ' HIS . 96.7 m-85 -112.52 172.94 6.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -103.25 -48.46 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.2 m -112.55 165.62 12.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 93' ' ' LEU . 0.4 OUTLIER -63.89 -54.08 40.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 11.0 tm0? -39.69 -42.83 1.28 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -59.84 -48.06 83.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.848 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 96' ' ' LEU . 1.1 tm? -62.85 -56.28 18.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 97.4 p -51.23 -61.85 1.98 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.468 ' O ' ' C ' ' A' ' 99' ' ' HIS . 31.7 t -46.61 -69.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.468 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.0 t60 -32.82 -47.9 0.18 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.926 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.0 mmm -64.81 -71.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.835 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 56.8 mt -42.99 -32.71 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.9 mtpt -77.38 -46.49 22.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.936 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 104' ' ' LYS . 61.3 p -94.76 16.85 14.74 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.196 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.493 ' N ' ' O ' ' A' ' 100' ' ' MET . 39.2 mtpt 34.04 49.29 0.29 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -84.85 -34.94 22.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -80.75 6.49 12.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -95.31 -33.75 12.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.67 42.8 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.579 HG23 ' O ' ' A' ' 109' ' ' VAL . 30.4 m -108.27 106.33 20.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.4 p -174.23 177.31 2.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -114.44 120.93 5.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.421 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -179.02 2.63 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.332 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 10.0 t -174.49 130.87 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 t -151.11 177.56 10.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.487 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -172.28 170.65 5.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.875 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -168.92 168.88 10.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.811 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.07 98.91 1.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.0 t -153.24 120.13 5.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.947 0.403 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.9 p -154.35 132.13 11.51 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.19 95.1 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.456 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -123.9 121.5 35.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.836 0.35 . . . . 0.0 110.904 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.533 ' O ' HD12 ' A' ' 9' ' ' LEU . 1.8 pp -77.9 126.81 31.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.7 m-85 -101.22 131.95 46.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.964 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 121.49 119.22 2.61 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.487 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 97.9 p -171.17 115.82 0.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.874 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 18.1 pt -97.97 140.38 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.056 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -96.4 163.91 12.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.839 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.436 ' O ' HG22 ' A' ' 15' ' ' THR . 18.3 m -64.64 -6.56 7.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.145 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 56.52 12.72 6.65 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.89 139.53 47.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.861 0.362 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.5 m -151.49 119.11 6.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.824 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -84.12 -54.07 5.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.448 ' HB3' HD22 ' A' ' 35' ' ' LEU . 58.3 m-85 -108.23 131.19 54.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.47 ' CZ ' ' OD2' ' A' ' 47' ' ' ASP . 45.1 mtm105 -125.06 124.13 41.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 23' ' ' LYS . 36.4 t -75.96 80.75 2.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.455 ' C ' ' O ' ' A' ' 22' ' ' CYS . 13.6 tptm -33.49 -53.37 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 23' ' ' LYS . 8.5 t0 -35.32 -68.54 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.408 ' O ' ' O ' ' A' ' 22' ' ' CYS . 27.5 p -102.2 -176.56 3.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.955 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.0 m -94.19 36.87 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -115.91 163.86 15.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 20' ' ' PHE . . . -155.27 158.51 38.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.103 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -134.11 154.94 50.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.953 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -74.88 -46.33 36.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.842 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.6 p -108.34 147.81 30.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 55.9 tp -67.41 -44.29 79.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -48.79 -25.73 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.08 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -89.94 -40.29 12.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.848 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.448 HD22 ' HB3' ' A' ' 20' ' ' PHE . 11.3 tp -63.74 -46.84 83.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 37' ' ' VAL . 45.8 p -44.2 -62.38 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' THR . 71.0 t -36.27 -54.69 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.8 t60 -62.18 -49.37 76.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.484 ' SD ' ' N ' ' A' ' 46' ' ' ARG . 29.4 mtm -51.06 -52.94 38.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -67.94 -51.82 43.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -51.1 -63.83 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 56.2 p -73.64 -28.56 61.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.184 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 95.43 27.87 10.26 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.45 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 39' ' ' MET . 17.0 m170 -94.07 -176.63 4.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.835 0.35 . . . . 0.0 110.863 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.409 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 23.6 m-85 -144.79 147.4 32.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.484 ' N ' ' SD ' ' A' ' 39' ' ' MET . 0.0 OUTLIER -58.01 -178.0 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.841 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.47 ' OD2' ' CZ ' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -123.69 31.01 6.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.23 175.02 5.73 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -49.96 168.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -159.51 144.11 15.22 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -110.04 43.27 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 40.1 p -128.48 114.0 16.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.136 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -173.34 143.32 1.07 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 61.75 25.18 15.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -71.75 -44.57 63.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.4 ' HA ' ' HD2' ' A' ' 57' ' ' PRO . 34.7 p-10 -96.2 108.52 42.02 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.552 0.691 . . . . 0.0 110.853 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.521 ' O ' ' C ' ' A' ' 58' ' ' LYS . 53.0 Cg_endo -69.81 0.54 5.53 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.735 2.29 . . . . 0.0 112.261 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' C ' ' O ' ' A' ' 57' ' ' PRO . 0.0 OUTLIER 28.05 41.43 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.865 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.517 ' N ' ' O ' ' A' ' 57' ' ' PRO . 6.9 ptt-85 -39.69 148.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.934 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.1 m95 -92.58 179.45 5.5 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.987 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.2 m -113.51 179.14 4.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.802 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.01 151.68 0.16 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 110.923 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -169.8 0.35 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.667 2.244 . . . . 0.0 112.396 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -83.4 150.26 26.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 50.1 pttt -71.38 -175.49 1.27 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 67' ' ' SER . 0.0 OUTLIER -104.34 175.19 5.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.891 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.463 ' O ' ' CD ' ' A' ' 66' ' ' ARG . 74.7 m -87.89 158.48 18.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -132.61 79.46 1.85 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.7 mp -43.37 150.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.942 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -98.91 128.86 45.19 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.77 174.88 7.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.852 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -50.3 169.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -127.62 -105.9 1.34 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.465 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.423 ' O ' ' C ' ' A' ' 75' ' ' GLU . 3.6 ptpt -81.66 43.42 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.763 0.316 . . . . 0.0 110.861 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 74' ' ' LYS . 16.4 tt0 -35.88 151.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -81.56 45.08 0.85 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -103.64 79.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.466 ' NE2' ' HD2' ' A' ' 82' ' ' LYS . 36.4 mt-30 -133.22 95.04 3.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.98 47.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 6.5 p -168.92 139.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.138 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.5 mt -53.66 106.46 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.466 ' HD2' ' NE2' ' A' ' 78' ' ' GLN . 7.3 ttmt -137.82 149.41 46.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.542 ' O ' ' N ' ' A' ' 87' ' ' GLY . 42.5 t -100.64 110.05 22.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.15 -45.75 86.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.405 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 10.2 t80 -37.88 -59.3 0.84 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.943 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.5 p -106.39 -52.21 2.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.542 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 110.2 50.14 0.68 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -107.89 121.26 44.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.821 0.343 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.448 ' HB3' ' CE ' ' A' ' 82' ' ' LYS . 88.8 p -78.42 147.88 33.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.578 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 92.8 m-85 -139.18 -175.06 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -114.49 -52.95 2.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.824 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.4 p -113.62 159.49 19.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.415 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -51.69 -52.49 47.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.889 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.528 ' O ' HG12 ' A' ' 98' ' ' VAL . 39.1 tp60 -36.38 -62.98 0.42 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.578 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 4.2 m-20 -45.06 -46.59 11.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.562 HD13 ' C ' ' A' ' 96' ' ' LEU . 2.7 tm? -64.6 -55.15 22.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.95 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 99' ' ' HIS . 40.9 m -55.92 -65.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.797 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 94' ' ' GLN . 11.0 p -42.39 -24.4 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.415 ' N ' ' O ' ' A' ' 97' ' ' SER . 3.6 t60 -84.29 -54.19 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . . . . . . . . . 4.4 mmt -51.81 -40.07 59.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.425 ' O ' ' CD ' ' A' ' 104' ' ' LYS . 19.7 mt -68.93 -57.0 10.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.137 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 45.2 mttt -55.59 -57.25 12.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.954 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 72.5 p -71.94 -21.89 61.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.104 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.425 ' CD ' ' O ' ' A' ' 101' ' ' ILE . 0.0 OUTLIER 61.69 52.94 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 108' ' ' LYS . 40.3 m170 -92.45 -47.42 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 107' ' ' GLN . 31.8 p90 -40.99 -53.96 2.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.83 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.528 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 0.8 OUTLIER -54.38 -58.01 9.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.908 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.404 ' O ' ' O ' ' A' ' 105' ' ' HIS . 39.6 ttmt -80.0 112.56 17.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 89.6 t -130.36 -52.79 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 52.0 p -120.44 178.55 4.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -151.43 108.67 0.39 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.532 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.64 -175.85 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.776 2.318 . . . . 0.0 112.336 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 73.1 p -159.31 151.04 20.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 10.0 t -127.25 178.08 6.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.432 -179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' GLY . 18.2 t -35.24 132.36 0.39 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.4 t -167.2 127.42 1.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.827 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.53 132.58 1.37 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.512 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.9 t -96.97 138.88 33.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -105.87 145.22 31.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.02 -167.81 11.44 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.503 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -117.02 165.74 13.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mp -87.31 123.28 32.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -108.04 156.62 19.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -122.16 156.48 16.86 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.474 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.7 p -94.09 91.3 6.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.806 0.336 . . . . 0.0 110.812 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.2 pt -76.99 144.4 11.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -73.9 168.79 18.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 45.5 m -142.94 110.35 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.21 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 134.29 118.84 1.91 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -173.1 131.41 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.781 0.324 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.416 ' HB3' ' HB1' ' A' ' 28' ' ' ALA . 72.4 m -105.77 106.24 16.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.814 -179.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 mptt -55.98 -52.13 65.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.571 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 60.4 m-85 -107.01 142.7 36.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 68.9 mtm180 -136.02 134.73 38.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 23' ' ' LYS . 8.0 t -94.61 80.07 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' CB ' ' HB2' ' A' ' 47' ' ' ASP . 1.7 tttp -34.25 -56.74 0.5 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 23' ' ' LYS . 3.0 m-20 -34.04 -59.48 0.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.453 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 30.0 p -105.78 -177.37 3.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 p -100.77 41.25 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.87 172.0 7.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.036 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.416 ' HB1' ' HB3' ' A' ' 18' ' ' SER . . . -156.08 167.52 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -146.97 169.78 18.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.944 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -93.68 -42.65 9.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 18.2 p -109.98 153.98 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.165 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.571 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 15.8 tp -73.24 -45.88 53.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -49.8 -22.24 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.134 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -89.18 -44.32 10.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.6 tp -62.65 -50.85 69.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 37' ' ' VAL . 21.0 p -42.23 -65.22 0.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' THR . 53.2 t -37.3 -50.1 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.083 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -66.2 -44.4 84.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.837 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.9 mtm -51.85 -49.13 63.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -76.9 -50.24 13.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -43.97 -50.76 8.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 61.1 p -88.34 -46.16 9.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 141.91 -36.56 1.67 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.453 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 4.6 m170 -45.04 165.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.309 . . . . 0.0 110.901 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -142.55 173.77 11.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.6 tpt180 -41.91 153.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.457 ' HB2' ' CB ' ' A' ' 23' ' ' LYS . 0.9 OUTLIER -112.58 32.98 5.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.973 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -97.92 168.0 10.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -72.82 137.49 45.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -122.3 45.71 2.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -103.99 96.46 6.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -110.49 32.81 4.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.158 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -54.63 128.11 30.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -93.66 141.24 28.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.0 p-10 -110.05 107.59 17.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.828 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.422 ' ND2' ' H ' ' A' ' 56' ' ' ASN . 0.5 OUTLIER -39.66 105.29 0.35 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.6 0.714 . . . . 0.0 110.858 179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 56' ' ' ASN . 53.6 Cg_endo -69.82 -6.83 19.57 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.673 2.249 . . . . 0.0 112.359 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.3 ptpt -104.77 89.89 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.889 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.411 ' O ' ' C ' ' A' ' 60' ' ' TRP . 49.2 mtt180 -101.48 41.52 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.411 ' C ' ' O ' ' A' ' 59' ' ' ARG . 10.9 p90 36.7 37.99 0.07 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.9 p -100.67 153.38 19.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.892 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.67 137.12 96.2 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.639 0.733 . . . . 0.0 110.856 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.75 -164.88 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.377 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.07 -179.76 3.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -111.78 176.14 5.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.09 172.68 9.79 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 m -164.23 175.0 10.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.704 HD12 ' HG2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -101.12 -32.4 10.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 68' ' ' LEU . 2.0 tp 36.08 51.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.704 ' HG2' HD12 ' A' ' 68' ' ' LEU . 12.8 pt-20 -110.91 73.4 0.82 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.8 mmt -66.87 171.11 5.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -123.26 177.91 5.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -111.69 -143.75 9.31 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.522 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -141.65 115.71 9.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 19.1 tt0 39.28 38.67 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -83.71 37.04 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -111.94 93.03 4.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -76.17 47.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 6.5 ptpp? -128.17 -28.71 2.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.733 ' C ' HD13 ' A' ' 81' ' ' LEU . 7.3 p -146.74 166.85 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.867 ' N ' HD13 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -105.2 135.11 47.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.903 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.432 ' HG3' ' C ' ' A' ' 88' ' ' HIS . 18.4 tttt -146.36 120.21 9.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.401 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 46.2 t -55.97 144.75 27.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 3.5 ttm -93.02 -25.84 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.912 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.46 ' C ' ' CD1' ' A' ' 85' ' ' TYR . 4.2 t80 -64.22 -57.07 10.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 11.1 p -98.11 -51.62 3.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.828 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.401 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 108.09 50.66 0.76 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.494 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.432 ' C ' ' HG3' ' A' ' 82' ' ' LYS . 9.6 m170 -111.84 135.24 52.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.793 0.33 . . . . 0.0 110.812 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 2.8 t -85.66 139.63 31.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.95 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.553 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 73.4 m-85 -119.53 142.51 48.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.83 -32.03 35.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 25.5 p -116.72 149.59 39.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 -179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -64.6 -40.74 96.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.563 ' O ' HG23 ' A' ' 98' ' ' VAL . 0.7 OUTLIER -57.43 -30.34 64.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.553 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 2.3 m-20 -67.61 -45.33 75.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.438 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 2.2 tm? -52.33 -56.99 11.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.4 t -64.82 -51.64 61.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.813 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.563 HG23 ' O ' ' A' ' 94' ' ' GLN . 18.3 t -48.51 -39.82 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -71.69 -45.61 61.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 104' ' ' LYS . 8.2 mtt -50.87 -43.97 59.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 60.4 mt -79.47 -50.38 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.159 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -49.31 -28.67 5.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.536 ' HB ' ' CD2' ' A' ' 105' ' ' HIS . 46.5 p -117.81 -6.48 11.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.184 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 100' ' ' MET . 6.5 mtpm? 56.22 40.54 29.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.536 ' CD2' ' HB ' ' A' ' 103' ' ' THR . 13.6 m170 -74.23 -41.22 61.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.925 ' O ' HG22 ' A' ' 109' ' ' VAL . 2.5 p90 -74.87 -43.58 53.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.481 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 2.7 tp60 -57.18 -14.76 4.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.35 46.67 1.16 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.925 HG22 ' O ' ' A' ' 106' ' ' TYR . 18.5 m -130.14 91.12 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.8 t 71.91 41.96 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -82.32 144.77 23.73 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -171.64 0.49 Allowed 'Trans proline' 0 N--CA 1.465 -0.181 0 C-N-CA 122.71 2.273 . . . . 0.0 112.395 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 50.0 m -162.78 173.17 14.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.891 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 m -152.86 145.67 24.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.866 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.51 -179.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.0 p -72.26 -47.48 49.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.872 0.368 . . . . 0.0 110.86 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 t -164.65 139.53 5.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.41 178.37 45.97 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.499 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.8 p -165.57 129.8 2.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.907 0.384 . . . . 0.0 110.846 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.8 t -165.94 167.24 16.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.892 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.4 136.79 2.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.405 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -85.56 106.47 16.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.808 0.337 . . . . 0.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 29.1 mt -85.06 123.33 30.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.948 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -114.48 167.09 11.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.24 52.42 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 8.1 m -99.62 84.66 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.833 0.349 . . . . 0.0 110.877 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 12.0 pt -99.59 138.8 22.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -145.28 132.83 20.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.935 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.9 t -170.98 143.55 2.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -113.7 146.23 18.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.489 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.94 167.08 22.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.782 0.325 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.503 ' HB2' ' HB1' ' A' ' 28' ' ' ALA . 50.2 p -149.35 134.58 18.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.814 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -90.72 -57.8 2.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 46.0 m-85 -101.57 144.68 30.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.472 ' HG2' ' HB2' ' A' ' 28' ' ' ALA . 25.6 mtp180 -124.25 179.11 5.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' ASP . 3.0 t -121.55 93.47 4.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 47' ' ' ASP . 7.8 tttp -38.09 -26.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 22' ' ' CYS . 2.4 m-20 -79.29 -75.32 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.872 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.432 ' O ' ' O ' ' A' ' 22' ' ' CYS . 31.4 p -93.3 157.8 16.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -81.45 39.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.22 120.11 39.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.503 ' HB1' ' HB2' ' A' ' 18' ' ' SER . . . -105.66 166.39 10.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -139.43 155.74 47.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.74 -42.55 67.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.835 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 47.0 p -117.83 145.78 44.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.565 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 17.9 tp -67.54 -48.26 67.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.94 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.6 p -44.95 -34.22 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -79.48 -42.5 25.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 9.9 tp -63.09 -52.5 62.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 37' ' ' VAL . 33.2 p -40.03 -60.33 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.134 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 36' ' ' THR . 91.9 t -37.41 -49.27 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.148 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -65.95 -55.34 17.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.812 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 44' ' ' HIS . 22.7 mtm -45.31 -48.72 13.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 58.7 m-80 -73.92 -54.26 8.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.871 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -45.65 -59.27 2.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.934 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.6 p -73.55 -50.83 19.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.188 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.45 -29.51 1.89 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.498 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 39' ' ' MET . 27.3 m170 -50.22 165.34 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.804 0.335 . . . . 0.0 110.837 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -135.72 163.65 29.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.2 ttp180 -52.37 178.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.404 ' CB ' ' HB2' ' A' ' 23' ' ' LYS . 2.7 p-10 -129.03 31.19 4.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.8 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -113.45 10.95 18.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.882 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 35.9 m120 -90.54 99.54 12.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 50' ' ' HIS . 0.3 OUTLIER -70.7 82.35 0.62 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -89.66 -10.78 44.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.9 p -94.92 110.39 22.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -84.62 138.08 32.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 30.4 t30 -98.73 163.43 12.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 p30 -119.94 126.82 51.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -48.01 127.61 11.78 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.706 0.765 . . . . 0.0 110.856 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -6.67 19.17 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -95.6 91.17 6.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.946 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.4 ttm180 -62.64 155.23 26.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 23.4 t-105 -47.28 122.26 4.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.2 m -109.01 164.94 11.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.827 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.401 ' HD2' ' N ' ' A' ' 62' ' ' LYS . 0.3 OUTLIER -59.45 152.53 54.51 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.582 0.706 . . . . 0.0 110.9 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -175.24 1.09 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.682 2.255 . . . . 0.0 112.321 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.453 ' HD3' ' N ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -114.78 149.75 36.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.916 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.453 ' N ' ' HD3' ' A' ' 64' ' ' ARG . 26.1 mtmm -43.64 111.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -82.0 25.96 0.54 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 5.2 p -64.37 -176.66 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 73.62 35.87 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.931 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -58.35 -177.71 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.984 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -154.52 140.31 18.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 31.9 mmt -108.0 136.4 47.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.906 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -122.77 178.09 5.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.019 0.437 . . . . 0.0 110.797 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 172.76 133.56 1.68 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.1 pttp -90.54 41.69 1.07 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.795 0.331 . . . . 0.0 110.943 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -127.92 86.67 2.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.534 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 12.3 t70 -173.57 174.84 3.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.534 ' HB3' ' O ' ' A' ' 76' ' ' ASP . . . 73.2 47.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 13.6 tp60 -97.94 36.67 1.52 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.444 ' HG2' ' N ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -128.57 -31.19 2.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.444 ' N ' ' HG2' ' A' ' 79' ' ' LYS . 6.8 p -130.36 146.66 33.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.135 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 92' ' ' SER . 20.6 mt -56.04 118.21 4.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.404 ' CE ' ' HB3' ' A' ' 89' ' ' SER . 11.4 ttmt -145.29 121.42 10.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 4.4 t -58.82 150.67 23.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.808 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 26.4 tpp -98.85 -31.79 11.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.511 ' CD1' ' CE1' ' A' ' 105' ' ' HIS . 3.2 t80 -54.73 -58.18 8.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.901 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 23.3 p -104.57 -50.4 3.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 109.7 64.54 0.54 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -120.84 141.15 50.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.404 ' HB3' ' CE ' ' A' ' 82' ' ' LYS . 52.8 p -81.12 151.78 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.835 -179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.563 ' CE1' HD22 ' A' ' 96' ' ' LEU . 77.8 m-85 -136.15 -177.58 4.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.848 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -107.0 -54.96 2.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.499 ' C ' ' CD1' ' A' ' 81' ' ' LEU . 19.3 p -135.03 170.53 15.76 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.662 ' H ' HD22 ' A' ' 93' ' ' LEU . 2.8 mm? -47.47 -51.83 19.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.66 -58.44 3.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.02 -44.33 64.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.578 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.5 tm? -63.46 -65.28 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 98' ' ' VAL . 18.3 t -38.42 -65.53 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.466 ' CG1' ' HD2' ' A' ' 102' ' ' LYS . 53.4 t -34.95 -71.73 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' VAL . 11.6 t60 -37.62 -59.17 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 104' ' ' LYS . 4.4 mmt -48.75 -36.71 17.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 98' ' ' VAL . 23.1 mt -78.03 -62.01 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.466 ' HD2' ' CG1' ' A' ' 98' ' ' VAL . 37.7 mttp -48.38 -30.9 5.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.463 ' OG1' ' CD2' ' A' ' 105' ' ' HIS . 34.1 p -105.66 -16.36 14.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER 61.67 49.27 5.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.511 ' CE1' ' CD1' ' A' ' 85' ' ' TYR . 20.9 m170 -86.88 -24.43 24.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.513 ' CE1' ' HG3' ' A' ' 107' ' ' GLN . 1.2 p90 -98.98 -4.73 31.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.971 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.513 ' HG3' ' CE1' ' A' ' 106' ' ' TYR . 38.7 mt-30 -100.85 21.33 13.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.93 -22.92 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.94 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.39 -16.62 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.108 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 2.8 t -106.4 176.56 5.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -127.78 140.39 11.79 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 -168.77 0.29 Allowed 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.307 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.5 t -130.37 173.68 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 29.0 p -120.52 177.39 5.07 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.457 -179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.4 -0.28 . . . . 0.0 112.4 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -51.38 150.44 3.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.872 0.368 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.7 m -84.64 -55.22 4.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.853 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 57.97 101.42 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.506 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.7 p -143.12 132.11 22.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.38 . . . . 0.0 110.807 -179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -172.88 159.98 4.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.8 97.76 0.12 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.8 mmmt -133.74 172.48 12.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.915 0.388 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.706 HD22 ' C ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -138.33 166.6 23.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.51 ' N ' HD22 ' A' ' 9' ' ' LEU . 34.8 m-85 -116.98 142.53 46.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.14 107.33 0.26 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.513 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 88.5 p -171.81 109.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 20.6 pt -99.43 145.87 9.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -78.84 105.34 10.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.5 m -143.42 116.47 8.89 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.12 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 162.75 67.72 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.452 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.94 155.33 18.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.807 0.337 . . . . 0.0 111.153 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.6 p -140.68 122.04 14.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.837 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mmmt -77.96 -60.76 2.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.873 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 24.9 m-85 -88.75 174.6 7.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -153.94 156.09 36.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 1.7 t -108.01 128.54 54.75 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 0.6 OUTLIER -69.57 -61.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.527 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.8 m-20 -44.84 -69.73 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.802 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 15.6 p -92.52 161.52 14.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -92.89 40.3 1.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -114.53 121.11 42.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -102.67 168.1 9.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.131 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -139.29 168.94 18.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.867 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -93.15 -42.19 9.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.847 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 70.1 p -113.6 146.63 39.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.211 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 50.8 tp -62.46 -52.03 65.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.8 p -45.34 -32.17 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 mm-40 -79.34 -33.65 42.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 26.3 tp -76.34 -54.78 6.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.442 ' O ' ' N ' ' A' ' 39' ' ' MET . 44.2 p -44.15 -65.12 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.186 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.6 p -39.27 -35.78 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -80.58 -39.11 28.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.442 ' N ' ' O ' ' A' ' 36' ' ' THR . 33.1 mtm -60.23 -37.7 81.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 6.9 m-80 -84.02 -45.84 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.903 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -54.25 -43.85 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 72.8 p -91.23 -46.1 8.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.146 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 133.16 -28.46 3.32 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.503 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.527 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 12.1 m170 -47.13 160.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.8 0.333 . . . . 0.0 110.851 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -130.47 161.12 32.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -54.22 118.23 3.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -46.1 -55.17 7.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -92.73 158.18 16.05 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.938 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 33.7 m120 -161.38 138.12 8.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.845 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -78.74 98.97 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -144.62 159.21 43.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.892 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -115.17 146.57 41.26 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.143 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -59.31 127.86 34.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -49.34 140.53 10.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -96.49 107.2 19.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -130.49 84.5 59.12 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.642 0.734 . . . . 0.0 110.895 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -5.17 15.59 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 2.232 . . . . 0.0 112.347 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.0 ptmt -87.05 33.57 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -133.28 85.7 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 74.3 t-105 -123.64 154.83 38.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.949 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 55.4 m -135.8 144.78 45.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.866 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.2 mttt -72.73 151.77 91.24 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.519 0.676 . . . . 0.0 110.903 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -176.77 1.61 Allowed 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.326 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -128.53 144.25 51.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.487 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 7.1 ptmm? -91.27 136.08 33.35 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.846 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.9 ptt-85 -105.4 179.75 4.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.9 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.0 m -96.39 126.84 41.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.673 ' H ' HD13 ' A' ' 68' ' ' LEU . 0.0 OUTLIER -113.6 39.2 2.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' C ' ' O ' ' A' ' 68' ' ' LEU . 4.6 mp -33.14 144.51 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.857 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 11.0 mp0 -110.03 133.58 53.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 28.1 mmt -72.06 178.48 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -124.18 176.64 6.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -126.59 105.94 0.81 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.445 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -140.47 124.58 17.51 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.698 0.285 . . . . 0.0 110.935 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 38.29 45.31 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 78' ' ' GLN . 3.8 t70 -85.76 178.22 7.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.02 75.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.089 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 76' ' ' ASP . 19.9 mm-40 -104.8 176.25 5.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.881 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.694 ' HD3' HG12 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -40.51 -27.39 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.748 ' C ' HD13 ' A' ' 81' ' ' LEU . 13.2 p -157.58 170.84 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.839 HD22 ' H ' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -113.62 149.59 34.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.904 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 5.4 tppt? -145.98 125.43 13.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . . . . . . . . . 42.2 t -60.28 155.73 17.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 36.3 mtm -97.97 -29.4 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.613 ' CD2' ' CD2' ' A' ' 105' ' ' HIS . 84.0 t80 -76.1 -72.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.964 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.475 ' HB3' ' CE1' ' A' ' 105' ' ' HIS . 30.6 p -79.34 -42.63 25.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 86.02 79.64 1.17 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 28.8 m-70 -138.91 136.08 35.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.765 0.317 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.5 p -82.49 131.81 35.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.884 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 93.3 m-85 -113.12 145.27 41.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.857 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -67.41 -44.2 79.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.6 p -116.51 163.49 15.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.777 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.2 tt -72.24 -45.13 61.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -48.14 -44.14 31.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.401 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.7 m-20 -55.91 -45.0 78.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.471 HD13 ' C ' ' A' ' 96' ' ' LEU . 3.3 tm? -55.41 -50.27 70.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.96 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 71.0 m -59.86 -66.97 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 14.5 p -50.04 -28.45 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -65.53 -54.91 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 104' ' ' LYS . 2.7 mmt -49.67 -64.75 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.844 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.56 HD12 ' H ' ' A' ' 101' ' ' ILE . 4.0 mp -48.68 -41.25 12.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 21.1 mtmt -63.45 -39.62 94.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.924 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.453 ' O ' ' C ' ' A' ' 104' ' ' LYS . 47.7 p -106.7 19.72 20.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.093 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.502 ' N ' ' O ' ' A' ' 100' ' ' MET . 16.0 mttp 34.27 42.87 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.867 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.613 ' CD2' ' CD2' ' A' ' 85' ' ' TYR . 38.4 m170 -80.79 -37.66 29.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.523 ' CE2' ' HG2' ' A' ' 107' ' ' GLN . 4.2 p90 -53.15 -39.81 63.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.896 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.523 ' HG2' ' CE2' ' A' ' 106' ' ' TYR . 23.6 mm-40 -77.06 -46.75 22.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.431 ' O ' ' CD1' ' A' ' 85' ' ' TYR . 4.9 mmpt? -88.8 110.88 21.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 75.9 t -123.72 -39.85 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.099 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 82.6 p -163.97 150.44 11.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.781 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -107.27 144.64 15.96 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -179.91 3.23 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.66 2.24 . . . . 0.0 112.384 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 13.0 t -148.63 171.88 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.831 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.1 t -156.45 173.72 16.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.495 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -154.12 176.75 11.87 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -123.85 -46.41 1.98 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.94 81.83 0.31 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -107.63 104.52 14.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.831 -179.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -158.72 115.04 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.1 120.88 1.19 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.503 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -149.47 113.52 5.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.841 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 9' ' ' LEU . 1.2 pt? -40.2 145.17 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -73.48 114.17 11.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -135.44 -122.99 2.27 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.443 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 m 55.62 44.93 25.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.39 . . . . 0.0 110.869 -179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 14.3 pt -102.67 133.13 47.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.194 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -73.97 118.39 16.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.8 p -136.38 121.74 19.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.131 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.93 71.79 0.19 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.49 175.79 10.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.046 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 77.6 p -119.91 99.72 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.91 -58.94 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' HB3' HD22 ' A' ' 35' ' ' LEU . 75.3 m-85 -102.15 155.01 18.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -142.97 141.17 31.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 19.0 t -79.23 130.49 35.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.78 24.07 3.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.483 ' HB3' ' CG ' ' A' ' 44' ' ' HIS . 7.0 t70 -126.44 -53.77 1.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.865 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.3 p -111.56 -178.85 3.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -91.33 36.46 0.93 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.838 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -116.86 152.13 35.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.148 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -144.73 170.56 15.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -148.14 172.6 14.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -98.07 -42.09 7.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.838 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.4 p -107.37 134.06 50.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.599 ' O ' HG22 ' A' ' 36' ' ' THR . 0.1 OUTLIER -53.55 -56.0 20.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.954 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.0 p -41.35 -24.17 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.072 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' LEU . 12.1 mt-10 -91.01 -32.39 15.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.934 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.544 HD22 ' HB3' ' A' ' 20' ' ' PHE . 59.0 tp -76.66 -48.92 17.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.746 HG23 ' H ' ' A' ' 37' ' ' VAL . 1.2 t -49.77 -63.44 1.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.746 ' H ' HG23 ' A' ' 36' ' ' THR . 14.4 p -37.25 -31.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 36' ' ' THR . 7.0 t60 -87.28 -40.14 14.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 36' ' ' THR . 67.4 mtm -66.76 -52.35 45.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -63.56 -27.9 69.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 37' ' ' VAL . 27.6 mm-40 -77.41 -71.57 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.0 p -66.14 -3.95 6.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.157 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 88.77 -18.03 46.18 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.533 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.483 ' CG ' ' HB3' ' A' ' 24' ' ' ASP . 32.9 m170 -54.04 -178.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.443 ' C ' ' SD ' ' A' ' 39' ' ' MET . 1.5 t80 -156.72 -176.38 5.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' NE ' ' OD1' ' A' ' 48' ' ' ASP . 24.7 ptt-85 -104.35 157.86 16.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.468 ' CG ' ' O ' ' A' ' 47' ' ' ASP . 1.8 t70 -97.37 75.08 2.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.466 ' OD1' ' NE ' ' A' ' 46' ' ' ARG . 6.7 m-20 -70.99 161.28 31.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -84.55 119.1 24.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 48.4 m170 -99.17 41.87 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 53.59 41.6 32.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 25.4 p -60.02 128.62 37.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.238 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -60.73 126.87 29.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -117.27 130.14 56.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -122.84 110.73 15.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 46.6 m-20 -108.99 112.75 59.88 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.651 0.739 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -3.69 12.54 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.348 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.7 pttp -99.99 115.08 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.937 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 7.8 ppt_? -40.29 150.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 7.8 p90 -102.87 171.66 7.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 89.9 p -103.6 -178.92 3.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.819 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 49.0 mmtt -108.34 144.18 28.96 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.601 0.715 . . . . 0.0 110.907 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 -178.8 2.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.732 2.288 . . . . 0.0 112.309 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 24.5 mmt180 -92.09 179.98 5.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -77.2 169.1 18.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 14.0 ptt180 -130.31 -179.5 5.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -115.25 161.43 18.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.814 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 68' ' ' LEU . 3.2 mm? -118.74 70.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.906 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.0 mp -59.85 178.13 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -130.59 136.84 49.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.7 mmt -108.86 175.78 5.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -124.82 -177.33 3.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.894 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -65.66 -118.25 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.514 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' O ' ' C ' ' A' ' 75' ' ' GLU . 1.9 pttp -116.23 38.51 3.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.714 0.292 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.513 ' C ' ' O ' ' A' ' 74' ' ' LYS . 6.7 pt-20 28.1 44.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.459 ' N ' ' O ' ' A' ' 74' ' ' LYS . 20.7 t70 -165.71 177.24 7.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 55.27 51.98 12.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -112.93 -52.21 2.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.0 mtmt -133.94 48.62 2.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.1 p -175.4 144.74 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.14 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.9 mt -83.07 101.29 11.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.479 ' HD3' ' N ' ' A' ' 89' ' ' SER . 3.9 tppp? -130.11 137.96 50.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.564 ' O ' ' N ' ' A' ' 87' ' ' GLY . 22.6 t -90.81 103.14 15.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.798 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' TYR . 28.6 mmm -47.11 -48.66 22.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.425 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 19.8 t80 -37.16 -66.0 0.26 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.957 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 18.7 p -101.24 -51.97 3.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.861 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 109.69 61.09 0.51 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.503 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.471 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 9.0 m170 -118.26 105.5 11.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.85 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.479 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 88.1 p -63.4 146.95 52.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.812 -179.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.588 ' CD2' HD23 ' A' ' 96' ' ' LEU . 97.7 m-85 -131.58 -179.14 5.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.853 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' N ' ' OE1' ' A' ' 91' ' ' GLU . 9.5 pm0 -118.28 -37.75 3.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -117.77 148.32 42.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.771 -179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.9 mt -52.14 -47.81 65.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.725 ' O ' HG12 ' A' ' 98' ' ' VAL . 2.9 tt0 -45.16 -66.15 0.44 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.54 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.2 m-20 -36.94 -30.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.588 HD23 ' CD2' ' A' ' 90' ' ' PHE . 2.4 tm? -87.49 -57.72 2.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.592 ' O ' HD13 ' A' ' 101' ' ' ILE . 23.1 t -52.36 -18.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.852 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.725 HG12 ' O ' ' A' ' 94' ' ' GLN . 7.2 p -95.93 -47.9 12.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.087 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.557 ' HA ' ' CG ' ' A' ' 102' ' ' LYS . 7.8 t60 -47.27 -50.52 21.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.795 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.524 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.7 mmt -51.48 -43.04 62.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.592 HD13 ' O ' ' A' ' 97' ' ' SER . 1.8 mp -73.19 -65.9 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.156 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.64 ' HG3' HG23 ' A' ' 103' ' ' THR . 0.0 OUTLIER -44.66 -33.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.912 179.823 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.64 HG23 ' HG3' ' A' ' 102' ' ' LYS . 4.1 p -105.21 -6.51 19.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 100' ' ' MET . 0.0 OUTLIER 48.1 52.41 13.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.954 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -89.56 -52.24 5.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.924 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.512 ' CE1' ' HG2' ' A' ' 107' ' ' GLN . 0.1 OUTLIER -60.17 -23.2 63.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.979 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.512 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 6.5 mm100 -88.26 35.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -128.75 -36.32 1.83 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.975 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 28.2 m -48.73 -20.57 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.179 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 28.7 p -114.8 174.03 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 167.88 120.88 0.54 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.513 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 165.5 30.71 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.288 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.6 t -171.44 151.38 3.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.817 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.7 m -150.92 177.07 10.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.914 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -171.24 164.32 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 0.0 110.815 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -171.75 137.29 1.0 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.774 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.64 -145.39 4.12 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.453 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p -161.72 169.41 21.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.903 0.382 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -76.57 178.02 7.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.884 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.24 -168.23 13.74 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? -111.72 122.41 47.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 0.0 110.905 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.519 ' H ' HD23 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -75.78 6.34 5.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -109.38 150.92 27.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -114.82 -115.57 3.08 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.5 p -155.56 121.77 5.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.868 0.366 . . . . 0.0 110.826 -179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.9 pt -70.83 169.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.098 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -106.46 156.42 18.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.1 m -150.45 112.62 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.144 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 177.18 131.59 1.53 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.483 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.22 171.12 7.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.753 0.311 . . . . 0.0 111.093 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 25.0 p -115.39 82.32 1.73 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.84 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.8 mptt -41.8 -58.43 2.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.865 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 23.3 m-85 -113.52 154.26 27.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.822 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -148.06 122.53 9.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.428 ' O ' ' C ' ' A' ' 23' ' ' LYS . 4.0 t -73.37 77.72 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 22' ' ' CYS . 8.6 tttm -35.91 -51.36 0.7 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -39.18 -70.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 32.0 p -90.95 177.92 6.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.829 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 81.3 p -93.44 39.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -125.67 160.07 30.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.069 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -141.93 169.04 18.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -145.84 154.91 42.51 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -84.38 -42.21 15.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 27.2 p -106.28 146.08 30.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 63.0 tp -66.47 -49.2 67.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 4.4 p -53.76 -18.88 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.52 -30.42 18.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.5 tp -78.69 -53.35 7.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.536 ' HA ' ' HE2' ' A' ' 39' ' ' MET . 34.0 p -42.05 -66.34 0.36 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.16 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.575 HG22 ' OE2' ' A' ' 41' ' ' GLU . 7.6 p -37.41 -37.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -78.15 -45.61 22.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.536 ' HE2' ' HA ' ' A' ' 36' ' ' THR . 54.9 mtm -58.08 -43.95 87.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -76.05 -28.7 57.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.575 ' OE2' HG22 ' A' ' 37' ' ' VAL . 25.6 mt-10 -69.9 -45.24 68.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.797 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.9 p -93.19 -30.29 15.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.149 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 121.12 -21.17 8.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.407 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.478 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 15.8 m170 -52.14 179.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.34 . . . . 0.0 110.854 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.462 ' C ' ' SD ' ' A' ' 39' ' ' MET . 10.1 m-85 -152.1 174.26 13.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.947 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.402 ' O ' ' O ' ' A' ' 45' ' ' TYR . 0.3 OUTLIER -48.16 177.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.862 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -119.55 -27.16 5.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -72.05 127.5 32.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -74.92 92.32 2.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.929 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -106.57 0.5 24.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.92 115.41 5.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 52' ' ' THR . 9.2 m -85.78 17.75 3.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.165 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -73.33 169.61 16.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.1 t30 -141.28 166.32 25.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -144.57 -175.24 4.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.458 ' CG ' ' O ' ' A' ' 56' ' ' ASN . 15.7 t30 61.76 54.92 2.8 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.54 0.686 . . . . 0.0 110.85 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' CD ' ' N ' ' A' ' 56' ' ' ASN . 53.7 Cg_endo -69.77 7.73 0.93 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt 51.04 47.61 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.965 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -86.95 88.1 7.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 54.3 p-90 -90.59 179.56 5.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 62' ' ' LYS . 53.9 p -160.43 154.54 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.876 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 61' ' ' SER . 3.6 ptmm? -36.7 155.15 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.54 0.686 . . . . 0.0 110.874 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.416 ' HD2' ' HB2' ' A' ' 62' ' ' LYS . 54.3 Cg_endo -69.7 -177.77 2.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.661 2.24 . . . . 0.0 112.38 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -72.79 166.0 23.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.3 mtmt -52.86 -179.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.3 ptt180 -41.19 142.54 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.805 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.589 ' C ' HD23 ' A' ' 68' ' ' LEU . 7.4 p -164.22 118.8 1.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.842 -179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.589 HD23 ' C ' ' A' ' 67' ' ' SER . 2.0 mt -107.36 66.72 0.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tp -127.91 91.48 3.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -134.8 93.68 3.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -110.24 143.38 40.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -137.31 169.41 17.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -149.5 -128.4 1.64 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.8 mmmp? -132.49 48.46 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.66 0.267 . . . . 0.0 110.894 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -80.27 46.31 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -102.95 83.68 2.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -123.65 39.77 3.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.045 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.413 ' O ' ' C ' ' A' ' 79' ' ' LYS . 72.6 mt-30 -127.97 -43.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 78' ' ' GLN . 45.3 tttm -37.19 -48.71 0.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 3.7 p -171.32 143.17 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.124 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.2 mt -65.68 81.2 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.433 ' CB ' ' HA ' ' A' ' 89' ' ' SER . 1.3 ptmm? -129.62 130.89 46.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.499 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 2.6 t -55.31 147.32 17.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 14.9 ttm -85.65 -35.1 21.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.416 ' HB3' ' ND1' ' A' ' 105' ' ' HIS . 10.5 t80 -53.88 -63.84 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 7.4 p -94.54 -57.15 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.499 ' HA2' ' O ' ' A' ' 83' ' ' CYS . . . 112.94 43.96 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.471 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 6.8 m170 -96.95 102.88 14.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.776 0.322 . . . . 0.0 110.838 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.433 ' HA ' ' CB ' ' A' ' 82' ' ' LYS . 4.7 t -60.91 136.58 58.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.961 -179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.471 ' CE2' ' O ' ' A' ' 88' ' ' HIS . 83.7 m-85 -125.22 168.53 13.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -92.78 -53.25 4.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 94.1 p -107.69 164.07 12.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.471 HD13 ' O ' ' A' ' 93' ' ' LEU . 0.5 OUTLIER -62.1 -42.72 99.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.946 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.489 ' O ' HG12 ' A' ' 98' ' ' VAL . 53.3 tp60 -47.8 -59.56 3.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.4 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 1.4 m-20 -45.33 -35.86 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -73.4 -49.08 29.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.419 ' O ' HD12 ' A' ' 101' ' ' ILE . 1.8 t -60.72 -66.18 0.57 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.862 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 94' ' ' GLN . 13.8 p -42.0 -27.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.122 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -75.29 -50.45 16.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.518 ' HB3' ' CD1' ' A' ' 106' ' ' TYR . 5.2 mtt -47.03 -35.78 7.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.419 HD12 ' O ' ' A' ' 97' ' ' SER . 5.3 mp -87.11 -50.07 14.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.129 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 31.4 mttp -52.73 -25.32 10.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.831 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 66.7 p -116.49 -18.06 10.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.21 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 61.46 41.32 12.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.416 ' ND1' ' HB3' ' A' ' 85' ' ' TYR . 31.3 m170 -76.87 -52.9 8.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.852 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.518 ' CD1' ' HB3' ' A' ' 100' ' ' MET . 2.9 p90 -55.92 -38.89 70.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.509 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 14.7 mm-40 -39.98 -61.98 0.79 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.923 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -39.31 -34.19 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 3.3 t -83.76 51.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.117 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 7.3 t -148.32 176.21 10.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.873 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -179.58 118.11 0.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.498 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 176.25 7.01 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.624 2.216 . . . . 0.0 112.351 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 1.9 t -172.89 142.53 1.12 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.829 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 61.7 m -94.53 176.37 6.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.906 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.547 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.7 p -152.86 121.06 6.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.373 . . . . 0.0 110.85 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.5 p -120.44 177.16 5.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.865 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.91 -154.33 8.24 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.452 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -170.41 148.62 3.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.918 0.389 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 m -158.62 173.85 15.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.888 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.41 -174.83 36.15 Favored Glycine 0 N--CA 1.453 -0.213 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.442 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -166.44 129.34 1.93 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.328 . . . . 0.0 110.87 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.9 mp -117.87 135.41 54.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -87.81 152.88 21.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.862 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -116.57 -161.43 12.45 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.2 m -160.09 124.36 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 110.834 -179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 74.8 mt -98.65 134.68 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.11 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -127.23 128.5 46.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.588 ' O ' HG22 ' A' ' 15' ' ' THR . 22.9 m -111.28 39.7 2.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.106 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -41.27 123.48 2.72 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.434 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -161.7 158.1 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.6 t -156.83 136.54 12.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.782 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -71.7 -45.42 61.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.909 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 32' ' ' LEU . 24.4 m-85 -110.78 154.84 23.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.415 ' HG3' ' C ' ' A' ' 20' ' ' PHE . 25.7 mtm180 -146.42 128.68 15.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.45 ' O ' ' C ' ' A' ' 23' ' ' LYS . 13.2 t -85.26 84.64 7.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.933 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 22' ' ' CYS . 22.2 tptt -34.11 -55.81 0.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 23' ' ' LYS . 14.8 t0 -35.98 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.419 ' O ' ' O ' ' A' ' 22' ' ' CYS . 26.4 p -90.26 179.39 5.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.937 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.1 m -96.98 37.1 1.33 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -113.65 165.05 12.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.074 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -146.3 161.79 39.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.049 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -141.36 149.49 41.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.74 -41.78 59.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.903 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.2 p -111.34 156.29 21.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.077 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 20' ' ' PHE . 62.7 tp -71.83 -46.68 57.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.5 p -49.96 -32.63 8.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 mm-40 -76.51 -31.46 57.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 13.0 tp -78.1 -49.04 14.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 39' ' ' MET . 32.8 p -43.54 -66.12 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.434 HG13 ' N ' ' A' ' 38' ' ' HIS . 8.9 p -37.44 -41.47 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.074 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.434 ' N ' HG13 ' A' ' 37' ' ' VAL . 24.8 t60 -72.62 -42.3 64.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.48 ' O ' ' N ' ' A' ' 43' ' ' GLY . 24.6 mtm -59.58 -49.08 79.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -65.15 -49.43 69.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.99 -66.99 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.7 p -72.2 -48.75 40.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 116.02 30.53 2.1 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.504 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.512 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 21.8 m170 -93.83 -174.5 3.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.839 0.352 . . . . 0.0 110.828 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.512 ' CD1' ' O ' ' A' ' 44' ' ' HIS . 18.2 m-85 -150.65 139.06 20.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.951 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.78 161.4 0.24 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -88.32 73.46 8.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -125.96 159.35 32.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -52.92 132.77 37.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 33.1 m170 -111.01 166.77 10.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -95.67 150.32 20.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 54' ' ' ASN . 22.0 m -71.07 149.2 46.75 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.145 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -134.02 40.67 3.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.454 ' H ' HG22 ' A' ' 52' ' ' THR . 13.8 m-80 -89.37 150.49 22.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.39 139.07 52.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.412 ' ND2' ' H ' ' A' ' 56' ' ' ASN . 1.7 p30 -75.52 113.28 24.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.507 ' HB2' ' CD1' ' A' ' 60' ' ' TRP . 54.1 Cg_endo -69.79 4.85 1.96 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.678 2.252 . . . . 0.0 112.333 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 57' ' ' PRO . 18.9 ptmt -31.79 109.21 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.851 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 60' ' ' TRP . 0.0 OUTLIER 74.85 54.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.873 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.507 ' CD1' ' HB2' ' A' ' 57' ' ' PRO . 1.6 m-90 -36.95 146.56 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 64.4 m -40.35 161.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.886 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.52 146.52 0.7 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.635 0.731 . . . . 0.0 110.905 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.63 -178.7 2.41 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.53 126.37 38.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.4 pptp? -142.57 175.88 9.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.3 ptt180 -172.84 166.84 5.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.467 ' O ' HD23 ' A' ' 68' ' ' LEU . 83.7 p -121.52 137.81 54.57 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.813 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.467 HD23 ' O ' ' A' ' 67' ' ' SER . 2.7 mt -115.56 69.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 69' ' ' LEU . 0.4 OUTLIER -91.39 82.53 5.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.91 179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -134.91 69.55 1.45 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.904 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -104.16 27.97 7.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 16.5 mp0 -106.59 140.66 39.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.937 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 156.87 73.42 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -133.72 123.7 25.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.698 0.285 . . . . 0.0 110.917 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.498 ' C ' ' O ' ' A' ' 74' ' ' LYS . 10.4 pt-20 28.67 43.18 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' LYS . 12.9 p-10 -77.02 127.81 33.36 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.434 ' HB3' ' O ' ' A' ' 76' ' ' ASP . . . 68.15 53.01 0.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -100.58 52.01 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.3 tmtm? -48.94 -26.08 2.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.81 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.496 HG22 ' N ' ' A' ' 81' ' ' LEU . 7.3 p -115.08 157.17 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.103 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.496 ' N ' HG22 ' A' ' 80' ' ' VAL . 8.5 mt -63.43 109.79 1.73 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.408 ' NZ ' ' O ' ' A' ' 87' ' ' GLY . 17.0 mttm -127.63 171.28 11.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.841 179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 87' ' ' GLY . 7.7 t -114.2 112.25 22.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.982 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 5.2 mtm -49.43 -49.09 46.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.843 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.476 ' HB3' ' SG ' ' A' ' 83' ' ' CYS . 2.0 t80 -40.67 -70.32 0.11 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 12.7 p -99.93 -53.17 3.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.91 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 108.56 74.07 0.82 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.458 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -126.93 116.81 21.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 27.3 p -74.36 135.0 42.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.851 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.403 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 96.2 m-85 -123.99 153.66 40.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.4 mp0 -79.58 -45.78 18.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.815 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 38.2 m -114.0 162.97 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.72 -53.65 31.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.586 ' O ' HG23 ' A' ' 98' ' ' VAL . 52.2 tp60 -38.64 -38.81 0.43 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.403 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 16.6 m-20 -63.23 -48.31 78.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.696 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.7 tm? -63.17 -55.13 27.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.407 ' O ' HD12 ' A' ' 101' ' ' ILE . 57.0 m -48.53 -58.98 3.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.586 HG23 ' O ' ' A' ' 94' ' ' GLN . 86.6 t -49.29 -66.45 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.456 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.8 t60 -33.68 -53.32 0.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.497 ' O ' ' N ' ' A' ' 104' ' ' LYS . 5.5 mtp -44.55 -53.63 6.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.843 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.407 HD12 ' O ' ' A' ' 97' ' ' SER . 4.7 mp -70.43 -42.97 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -51.11 -30.33 15.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.918 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 59.3 p -123.54 4.91 8.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 100' ' ' MET . 27.6 mttp 50.0 39.78 19.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -72.57 -32.0 65.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.682 ' O ' HG22 ' A' ' 109' ' ' VAL . 32.1 p90 -59.63 -53.13 61.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 -179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.552 ' N ' ' CG ' ' A' ' 106' ' ' TYR . 0.1 OUTLIER -49.68 -18.71 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.916 179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.442 ' HD3' ' O ' ' A' ' 108' ' ' LYS . 6.6 tmtt? -90.28 46.55 1.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 106' ' ' TYR . 27.1 m -125.57 110.99 25.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.175 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 24.3 p -152.48 170.9 19.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -166.73 127.06 1.53 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 130.75 20.0 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.719 2.279 . . . . 0.0 112.38 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 88.5 p -172.58 120.55 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.793 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.1 m -96.05 -47.15 6.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.809 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.38 179.954 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.3 t -132.97 110.7 10.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.942 0.401 . . . . 0.0 110.847 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p -173.62 146.35 1.3 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.61 105.82 0.7 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.569 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -102.62 130.33 49.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.896 0.379 . . . . 0.0 110.902 -179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -155.1 147.65 24.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.39 -96.9 1.02 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.452 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -117.96 124.37 48.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.835 0.35 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.747 HD13 ' H ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -67.99 79.43 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.911 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -95.72 128.62 42.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -112.97 -164.07 15.95 Favored Glycine 0 N--CA 1.453 -0.222 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.456 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.4 t -125.15 105.29 9.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.825 0.345 . . . . 0.0 110.875 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.0 mt -67.35 128.09 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.186 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 30.2 p90 -61.28 -175.74 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 7.2 t -157.45 140.31 15.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.103 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.79 -178.42 35.02 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.475 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -163.29 140.47 7.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.729 0.299 . . . . 0.0 111.141 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.512 ' OG ' ' HB1' ' A' ' 28' ' ' ALA . 8.2 t -164.02 116.06 1.37 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.7 mmtp -76.31 -40.64 50.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.942 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 32' ' ' LEU . 52.8 m-85 -132.51 176.32 8.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -151.41 173.76 14.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.873 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 25' ' ' CYS . 2.6 t -116.69 125.33 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.9 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 24' ' ' ASP . 10.7 pttt -58.34 -40.13 81.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' HB2' ' CG ' ' A' ' 44' ' ' HIS . 1.2 m-20 -72.39 -76.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.42 ' O ' ' O ' ' A' ' 22' ' ' CYS . 27.7 p -82.84 159.97 22.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.807 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.6 t -88.97 40.31 0.97 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.44 177.32 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.512 ' HB1' ' OG ' ' A' ' 18' ' ' SER . . . -156.64 161.39 39.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.11 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -139.9 171.04 14.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -92.86 -42.41 9.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.916 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.0 p -116.49 132.12 56.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.167 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.734 HD11 HG23 ' A' ' 36' ' ' THR . 0.2 OUTLIER -51.07 -62.17 1.78 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 32' ' ' LEU . 32.6 m -33.41 -37.0 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 32' ' ' LEU . 90.5 mt-10 -75.27 -50.48 15.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.914 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 32' ' ' LEU . 17.9 tp -52.58 -56.81 12.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.734 HG23 HD11 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -40.13 -54.46 2.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.092 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 53.0 t -41.16 -60.35 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.135 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -53.7 -44.4 69.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.833 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 29.2 mtm -58.6 -46.63 86.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.909 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.47 -58.75 3.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -47.17 -63.66 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.858 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 16.9 p -66.73 -52.16 47.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.43 -20.55 3.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.419 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.499 ' CG ' ' HB2' ' A' ' 24' ' ' ASP . 17.6 m170 -55.29 -175.21 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.83 0.348 . . . . 0.0 110.862 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -164.01 172.02 14.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.984 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.9 ttt180 -69.79 157.49 37.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.68 -44.81 10.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.24 15.09 3.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -53.91 158.93 1.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.963 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -81.07 109.93 16.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -114.18 171.01 7.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.7 p -60.84 154.06 22.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.123 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.43 124.36 22.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -46.51 -55.54 7.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 60.92 40.38 15.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.414 ' OD1' ' HD2' ' A' ' 57' ' ' PRO . 9.4 t30 -57.73 130.0 81.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.649 0.738 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD2' ' OD1' ' A' ' 56' ' ' ASN . 54.1 Cg_endo -69.78 1.4 4.48 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.677 2.251 . . . . 0.0 112.391 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 48.45 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.949 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 60' ' ' TRP . 25.3 ttt85 -76.76 154.21 34.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.463 ' N ' ' HG2' ' A' ' 59' ' ' ARG . 10.6 m95 -89.21 177.96 6.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 49.0 p -115.54 171.86 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.88 158.47 37.64 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.549 0.69 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -178.81 2.53 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.694 2.262 . . . . 0.0 112.307 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 65' ' ' LYS . 2.8 tmm_? -101.17 148.36 25.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 64' ' ' ARG . 23.9 mttt -51.24 -175.93 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 67' ' ' SER . 0.9 OUTLIER -120.83 177.27 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 66' ' ' ARG . 66.2 m -36.85 145.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.61 30.6 5.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.904 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 tt -45.07 128.99 7.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -94.77 126.14 39.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -96.83 122.25 39.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.806 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -92.08 152.28 20.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -115.08 -120.02 3.35 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 73.1 mttt -68.05 80.8 0.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -105.7 157.59 17.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -160.3 169.72 22.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.12 46.14 0.99 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.192 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -113.82 165.17 12.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 9.9 tttt -128.48 26.06 5.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.975 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' A' ' 90' ' ' PHE . 4.2 p -171.65 145.54 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.087 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 8.0 mt -49.55 134.32 19.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.477 ' HE3' ' N ' ' A' ' 89' ' ' SER . 3.0 tptt -137.29 132.84 34.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.45 ' O ' ' HA2' ' A' ' 87' ' ' GLY . 13.7 t -55.19 129.1 36.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 8.8 mtm -74.57 7.37 3.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -123.93 -58.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 87' ' ' GLY . 15.6 p -108.75 17.72 21.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.816 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.48 ' C ' ' O ' ' A' ' 86' ' ' CYS . . . 32.07 68.94 0.13 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.49 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.514 ' O ' ' CE2' ' A' ' 90' ' ' PHE . 2.6 t-160 -106.72 120.91 43.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 110.882 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.477 ' N ' ' HE3' ' A' ' 82' ' ' LYS . 25.2 p -61.7 144.97 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.868 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.656 ' CD2' HD23 ' A' ' 96' ' ' LEU . 90.9 m-85 -137.3 171.97 13.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -98.82 -47.04 5.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.5 m -130.58 166.23 21.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.808 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.474 ' O ' ' N ' ' A' ' 96' ' ' LEU . 0.3 OUTLIER -57.48 -59.16 5.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 47.7 tp60 -37.77 -47.97 1.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.828 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -56.73 -39.7 74.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.756 HD13 ' C ' ' A' ' 96' ' ' LEU . 2.2 tm? -71.8 -51.83 20.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.944 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 41.2 t -54.84 -38.0 66.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.826 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.501 HG12 ' HG3' ' A' ' 102' ' ' LYS . 23.7 t -71.98 -65.95 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.483 ' C ' ' O ' ' A' ' 98' ' ' VAL . 18.4 t60 -31.71 -57.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 104' ' ' LYS . 17.6 mmm -43.56 -64.91 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 10.2 mt -58.26 -40.86 79.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.501 ' HG3' HG12 ' A' ' 98' ' ' VAL . 20.0 mmtt -57.58 -34.86 69.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.6 p -111.94 9.62 20.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.165 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.465 ' N ' ' O ' ' A' ' 100' ' ' MET . 30.9 mttt 48.95 43.67 21.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.958 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -83.79 -27.0 29.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.592 ' CE1' ' HB2' ' A' ' 107' ' ' GLN . 12.2 p90 -66.28 -38.31 87.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.948 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.592 ' HB2' ' CE1' ' A' ' 106' ' ' TYR . 46.1 tp60 -98.56 52.02 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 48.0 mttt -129.84 -44.8 1.18 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.962 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 109' ' ' VAL . 33.5 m -37.13 112.18 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.118 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 8.0 p 44.57 45.05 7.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -125.34 127.4 6.24 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.448 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 167.85 23.35 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.682 2.254 . . . . 0.0 112.296 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 41.5 t -105.16 -48.94 3.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 65.9 m -53.87 153.69 4.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.452 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -163.07 158.36 21.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.936 0.398 . . . . 0.0 110.837 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.3 m -153.8 173.37 15.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.4 139.84 3.59 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 m -119.22 146.89 44.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.859 0.362 . . . . 0.0 110.852 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.9 m -82.07 165.57 20.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.28 158.26 14.55 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.492 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 31.2 mttp -150.04 153.0 35.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.86 0.362 . . . . 0.0 110.902 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.9 mt -132.99 162.34 31.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -128.21 172.48 10.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.934 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -152.66 -134.64 2.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.467 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.9 t -129.53 107.13 9.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.835 0.35 . . . . 0.0 110.834 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.6 pt -88.27 141.93 13.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.6 p90 -97.8 150.84 20.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' GLY . 38.4 m -116.55 110.39 18.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 15' ' ' THR . . . 37.15 82.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.556 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -85.9 167.39 15.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.817 0.341 . . . . 0.0 111.152 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -174.89 129.51 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.43 -54.06 45.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.581 ' HB3' HD22 ' A' ' 35' ' ' LEU . 60.3 m-85 -103.1 140.57 37.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -136.52 119.27 16.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.42 ' O ' ' C ' ' A' ' 23' ' ' LYS . 8.3 t -77.27 81.46 3.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 24' ' ' ASP . 7.1 ttpp -36.85 -54.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 23' ' ' LYS . 1.2 m-20 -34.38 -61.93 0.36 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.444 ' HB3' ' CE1' ' A' ' 44' ' ' HIS . 28.8 p -101.69 -175.71 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.4 t -100.8 39.81 1.34 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -118.25 173.53 6.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -156.25 167.75 29.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.131 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -147.61 159.2 44.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -87.6 -46.28 9.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 60.2 p -109.99 142.65 41.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' HB2' ' CZ ' ' A' ' 20' ' ' PHE . 18.0 tp -58.13 -46.65 85.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.2 m -47.02 -20.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -91.2 -46.5 8.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.581 HD22 ' HB3' ' A' ' 20' ' ' PHE . 15.8 tp -63.73 -51.38 65.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.493 HG23 ' HG ' ' A' ' 32' ' ' LEU . 14.9 p -42.59 -63.48 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.09 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 73.1 t -43.06 -43.9 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.09 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -67.59 -41.99 83.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 43' ' ' GLY . 51.7 mtm -54.86 -45.39 74.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 m-80 -79.98 -45.31 18.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -53.54 -37.67 63.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.9 p -102.1 -42.74 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.226 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 39' ' ' MET . . . 131.73 -36.06 2.29 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.444 ' CE1' ' HB3' ' A' ' 25' ' ' CYS . 8.8 m170 -43.78 167.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -135.12 -177.98 4.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.8 tpp85 -55.45 161.5 1.92 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.441 ' C ' ' OD1' ' A' ' 47' ' ' ASP . 0.6 OUTLIER -112.33 34.05 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.826 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -105.04 163.19 12.73 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -82.96 153.42 25.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -93.71 144.13 25.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -95.72 168.51 10.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 67.2 p -70.0 175.01 4.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.224 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -38.78 134.92 0.91 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.856 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.471 ' H ' ' ND2' ' A' ' 54' ' ' ASN . 0.6 OUTLIER -49.53 -47.47 48.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -47.53 92.86 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 54' ' ' ASN . 7.8 m120 -129.47 159.93 66.9 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.638 0.732 . . . . 0.0 110.846 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.539 ' O ' ' C ' ' A' ' 58' ' ' LYS . 54.0 Cg_endo -69.67 10.49 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.737 2.292 . . . . 0.0 112.369 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.539 ' C ' ' O ' ' A' ' 57' ' ' PRO . 9.5 ttmt -25.03 102.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.482 ' O ' ' C ' ' A' ' 60' ' ' TRP . 0.6 OUTLIER -52.49 173.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.819 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.482 ' C ' ' O ' ' A' ' 59' ' ' ARG . 4.1 t-105 -31.08 117.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -151.35 118.35 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.855 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.425 ' C ' ' HD3' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -175.7 154.73 1.55 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 0.0 110.906 179.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 165.98 29.12 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -65.17 178.64 0.84 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.821 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -42.14 164.4 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 -46.48 162.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.1 m -86.98 174.89 8.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.452 ' O ' HD23 ' A' ' 68' ' ' LEU . 5.4 tt -128.15 76.62 1.71 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.43 ' C ' ' O ' ' A' ' 68' ' ' LEU . 4.1 mm? -35.15 141.47 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 71' ' ' MET . 34.5 mp0 -122.38 93.47 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.445 ' C ' ' O ' ' A' ' 70' ' ' GLU . 33.3 mmt -34.69 141.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.9 mp0 -92.96 -76.74 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.513 ' O ' ' C ' ' A' ' 74' ' ' LYS . . . -161.93 120.98 0.98 Allowed Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.551 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.513 ' C ' ' O ' ' A' ' 73' ' ' GLY . 17.7 mmtp 28.78 53.37 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.762 0.315 . . . . 0.0 110.956 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -94.13 38.09 1.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.481 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 8.0 t70 -108.29 177.12 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.829 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.481 ' HB3' ' O ' ' A' ' 76' ' ' ASP . . . 71.14 44.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.095 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 30.2 mm-40 -110.83 40.17 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.947 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -116.3 -40.4 3.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.892 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.418 ' O ' ' C ' ' A' ' 81' ' ' LEU . 7.2 p -133.42 145.16 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 80' ' ' VAL . 19.5 mt -36.32 109.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -134.15 139.79 46.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' CYS . . . . . 0.515 ' O ' ' N ' ' A' ' 87' ' ' GLY . 16.6 t -90.73 107.49 19.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' MET . . . . . . . . . . . . . 20.6 ttp -53.51 -44.18 68.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.815 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.417 ' CD1' ' CD2' ' A' ' 105' ' ' HIS . 17.2 t80 -41.54 -70.91 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' CYS . . . . . . . . . . . . . 26.6 p -93.5 -48.97 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 83' ' ' CYS . . . 105.15 58.74 0.66 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.461 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -120.89 117.42 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.835 0.35 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.2 p -72.81 132.65 43.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.508 ' CD1' ' HB3' ' A' ' 95' ' ' ASP . 94.1 m-85 -114.84 -175.55 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -120.72 -43.18 2.49 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.6 m -115.4 154.11 29.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.823 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 94' ' ' GLN . 11.6 mt -59.28 -55.3 36.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.564 ' O ' HG23 ' A' ' 98' ' ' VAL . 35.9 tp60 -36.01 -48.33 0.59 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.508 ' HB3' ' CD1' ' A' ' 90' ' ' PHE . 0.6 OUTLIER -57.51 -53.52 57.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.837 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 96' ' ' LEU . 1.8 tm? -59.11 -50.44 74.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 34.2 m -54.26 -52.52 61.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.564 HG23 ' O ' ' A' ' 94' ' ' GLN . 98.1 t -62.85 -69.31 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.457 ' C ' ' O ' ' A' ' 98' ' ' VAL . 7.6 t60 -33.25 -40.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 104' ' ' LYS . 3.0 mmt -58.32 -68.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.475 HD12 ' H ' ' A' ' 101' ' ' ILE . 3.7 mp -56.55 -40.26 67.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.062 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 mttm -53.75 -38.45 64.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 78.7 p -114.69 11.6 16.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.196 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LYS . . . . . 0.487 ' N ' ' O ' ' A' ' 100' ' ' MET . 2.6 mppt? 47.72 36.65 5.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.417 ' CD2' ' CD1' ' A' ' 85' ' ' TYR . 24.8 m170 -74.33 -19.82 60.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.917 179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.404 ' CE1' ' HG2' ' A' ' 107' ' ' GLN . 0.9 OUTLIER -76.01 5.14 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.795 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.404 ' HG2' ' CE1' ' A' ' 106' ' ' TYR . 10.9 mm100 -119.64 -172.9 2.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.4 mmpt? 64.12 26.13 13.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.9 m -106.31 171.52 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.164 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' SER . . . . . . . . . . . . . 95.2 p -87.07 101.36 13.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -164.96 111.53 0.47 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.511 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.85 -177.84 2.09 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.745 2.297 . . . . 0.0 112.345 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' SER . . . . . . . . . . . . . 17.3 m -154.61 158.8 40.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.87 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.9 p -170.48 168.81 7.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.813 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 300' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_