data_1whq_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 1whq _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 ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.906 0.384 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -69.25 -51.14 40.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -58.29 -24.19 58.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.406 ' CE1' HG13 ' A' ' 66' ' ' VAL . 10.0 t80 -68.5 -56.78 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.55 -51.19 70.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -56.11 -38.03 70.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.04 76.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.547 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 90.1 t90 -70.11 -36.38 74.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 1.3 p -76.01 -41.83 49.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.452 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -52.04 -44.44 56.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -68.07 -35.21 77.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.547 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 13.7 mtp85 -85.9 18.07 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm 49.21 49.08 20.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.4 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 50.8 mtm -134.4 160.06 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.6 m -142.62 118.88 6.84 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 144.13 52.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.68 117.45 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.529 ' CD2' ' OE1' ' A' ' 58' ' ' GLN . 14.6 m-85 -100.28 137.95 38.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -137.67 120.75 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 24' ' ' ARG . 38.9 mt -92.11 143.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.435 ' N ' HG22 ' A' ' 23' ' ' ILE . 23.9 mtm180 -132.56 161.18 34.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.86 126.2 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.6 m -149.26 173.7 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.53 -156.23 19.41 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -107.69 178.52 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -67.96 -53.64 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -57.23 -47.75 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 mmt-85 -117.19 108.3 15.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -96.87 158.99 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -143.08 158.77 43.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -126.98 104.4 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.0 mtt -88.05 127.24 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.9 t -117.17 130.2 56.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -121.57 126.83 50.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.4 p -107.86 130.5 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 12.9 mtp-105 -121.72 145.15 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.6 t -133.37 115.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -45.77 139.34 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.36 -34.12 5.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -105.69 155.0 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -93.8 -42.4 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.41 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 47.1 t80 -61.89 149.41 40.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.56 123.14 24.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.0 127.43 44.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.8 ptm -109.5 130.02 55.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.27 134.09 7.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -127.38 132.33 50.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m -173.57 136.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.9 m -53.09 -29.64 31.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -101.16 151.03 22.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -72.74 -47.44 46.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -50.78 -48.28 59.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.51 -52.82 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.91 -44.14 6.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.529 ' OE1' ' CD2' ' A' ' 21' ' ' TYR . 34.5 mm-40 -61.45 -52.09 65.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.5 m -56.42 -44.44 80.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -59.06 -53.0 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.88 -52.46 6.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.26 -63.49 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.31 -39.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.05 -58.06 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -53.66 -40.22 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.406 HG13 ' CE1' ' A' ' 7' ' ' PHE . 66.2 t -53.0 -48.92 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -56.33 -44.65 80.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.555 ' CE1' HG21 ' A' ' 72' ' ' ILE . 25.3 t80 -57.66 -43.65 85.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.7 mt -55.64 -51.86 65.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.13 -43.54 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 4.9 mmm180 -60.94 -52.43 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.555 HG21 ' CE1' ' A' ' 68' ' ' TYR . 19.0 pt -67.31 -3.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.449 ' C ' ' OE1' ' A' ' 74' ' ' GLU . 2.6 m-80 71.18 35.18 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -94.72 -33.19 13.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.446 HG22 ' NE1' ' A' ' 11' ' ' TRP . 93.8 t -135.76 140.48 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -91.09 138.59 31.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.6 p -53.89 -31.56 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -47.83 -28.32 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -88.9 -31.69 18.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 87.1 t -65.11 138.75 97.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.883 0.373 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.497 ' HE2' ' CZ ' ' A' ' 21' ' ' TYR . 10.9 tmtt? -56.61 -51.37 68.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -56.56 -37.33 70.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.413 ' CZ ' HG23 ' A' ' 80' ' ' VAL . 76.0 t80 -59.04 -59.89 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.9 -61.74 2.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -39.96 -56.18 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.59 -56.54 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.525 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 88.8 t90 -47.3 -55.89 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' SG ' ' CB ' ' A' ' 17' ' ' MET . 1.8 t -56.02 -43.93 78.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.75 -38.88 97.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -58.4 -30.3 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.304 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.525 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 6.2 mtp-105 -96.36 19.65 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 61.38 49.94 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 25.6 mtm -134.09 161.06 35.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.3 m -139.9 104.94 6.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 145.49 57.57 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.02 143.28 35.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.497 ' CZ ' ' HE2' ' A' ' 5' ' ' LYS . 65.6 m-85 -124.37 129.06 50.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -143.01 122.91 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 24' ' ' ARG . 5.3 mp -98.1 151.7 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 23' ' ' ILE . 24.2 ttt180 -127.92 161.11 29.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.82 122.57 46.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 m -137.25 173.99 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.49 153.64 15.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -63.31 161.82 13.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -43.65 -49.54 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -62.53 -53.04 60.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -97.09 86.98 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -91.07 141.76 28.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -141.52 162.71 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -126.16 114.67 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.9 mtp -98.43 118.6 35.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.3 t -113.05 134.95 54.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -132.13 146.19 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 7.1 p -121.14 149.37 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 13.6 mtp-105 -137.8 137.78 38.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.09 123.52 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -48.36 144.99 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.96 -41.66 2.49 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -97.14 161.3 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -102.08 -46.7 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.92 145.73 51.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 38' ' ' VAL . . . -132.88 125.69 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.08 132.18 45.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.462 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -124.09 140.87 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.05 133.47 5.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.539 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -114.54 121.42 43.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -150.4 170.61 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.2 p -86.8 -23.23 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -111.26 143.66 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -55.13 -54.62 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -53.62 -55.23 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -50.16 -55.7 14.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.08 -44.78 52.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -56.9 -47.49 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -56.03 -43.65 78.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -64.11 -51.32 64.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.42 -54.77 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.21 -58.02 9.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -43.34 -57.09 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -43.38 -54.56 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.21 -50.92 69.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.6 t -42.41 -48.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -52.83 -37.96 60.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.424 ' CE1' HD13 ' A' ' 72' ' ' ILE . 28.3 t80 -72.42 -30.95 65.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.436 HD21 ' CH2' ' A' ' 11' ' ' TRP . 31.6 mt -71.76 -26.83 62.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.962 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.3 t -87.35 -37.47 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -64.36 -31.8 73.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.424 HD13 ' CE1' ' A' ' 68' ' ' TYR . 16.6 pt -85.51 -0.15 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.3 t30 70.69 37.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -105.02 -23.52 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.456 HG23 ' NE1' ' A' ' 11' ' ' TRP . 95.7 t -139.82 134.43 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -88.42 127.1 35.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -47.56 -37.63 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.11 -33.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -85.26 -35.54 21.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.413 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 87.8 t -63.15 133.12 95.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.623 0.725 . . . . 0.0 111.129 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.917 0.389 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -55.61 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -48.74 -40.49 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.498 ' CE2' HG21 ' A' ' 80' ' ' VAL . 80.7 t80 -56.79 -57.06 14.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.45 -57.3 13.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -47.55 -56.73 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.66 77.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -51.59 -54.15 30.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -59.75 -50.76 72.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.08 -43.91 13.67 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -63.66 -32.79 74.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mtp85 -92.42 29.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.57 40.89 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.7 mtm -124.5 155.89 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.405 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 23.2 m -134.92 101.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.169 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.5 Cg_endo -69.81 132.37 23.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.3 143.92 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -125.54 117.59 23.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -122.31 122.76 39.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.1 mt -107.75 128.14 63.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -111.04 158.94 18.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.42 130.86 52.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.2 m -143.08 174.9 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.37 151.29 27.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -76.68 160.64 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -25.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.436 ' ND2' ' HG2' ' A' ' 31' ' ' ARG . 4.1 t30 -74.97 -53.8 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.436 ' HG2' ' ND2' ' A' ' 30' ' ' ASN . 28.3 mmm-85 -117.04 107.26 14.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? -90.03 139.74 30.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -145.23 155.2 43.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -125.65 137.95 53.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 73.0 mtp -116.74 113.25 22.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.4 t -105.41 127.91 53.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -123.21 136.6 54.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 p -115.57 144.67 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 14.6 mtp-105 -138.44 140.79 39.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.513 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 77.9 t -125.49 124.27 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -47.34 137.04 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.01 -42.82 1.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -96.29 143.56 27.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -84.76 -42.35 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -63.38 148.37 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.88 139.66 50.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.0 131.89 14.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -113.56 131.34 56.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.97 132.39 5.7 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -119.06 144.98 46.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -174.15 149.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -65.25 -32.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -110.22 127.61 55.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -46.42 -52.94 12.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -41.82 -55.27 3.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.11 -47.03 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.91 -54.34 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -48.6 -46.49 39.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 m -60.08 -44.35 94.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -59.5 -52.29 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.83 -57.7 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.22 -50.12 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -49.39 -53.6 21.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -49.32 -49.78 42.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.513 ' CZ ' HG22 ' A' ' 40' ' ' VAL . 48.2 t80 -56.03 -55.67 30.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' PHE . 99.5 t -35.81 -51.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -47.49 -47.05 27.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.425 ' CZ ' HG22 ' A' ' 72' ' ' ILE . 14.7 t80 -63.59 -38.35 90.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.14 -41.62 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.1 t -68.74 -41.32 82.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -59.85 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.425 HG22 ' CZ ' ' A' ' 68' ' ' TYR . 25.2 pt -65.61 -9.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m120 74.12 42.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -107.1 -44.08 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.9 t -117.28 128.19 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -81.23 126.95 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.3 p -46.12 -35.8 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -44.64 -34.54 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.13 -37.58 18.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 7' ' ' PHE . 99.3 t -64.81 138.9 97.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 5' ' ' LYS . 3.1 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.92 0.391 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.446 ' N ' HG21 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -66.14 -29.44 69.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -70.73 -17.31 62.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -86.61 -61.49 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.6 tp -49.2 -49.27 43.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -51.25 -54.03 29.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -52.99 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.409 ' NE1' HG21 ' A' ' 75' ' ' VAL . 85.0 t90 -49.4 -50.81 38.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -76.91 -17.48 58.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.31 -30.4 56.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -85.45 -29.54 24.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.732 0.301 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -84.0 19.84 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm 57.18 48.04 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.424 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 54.0 mtm -132.9 159.68 39.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.9 m -136.73 105.06 9.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 126.92 13.79 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.269 . . . . 0.0 112.284 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.95 124.74 39.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -108.06 130.13 55.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -138.28 141.07 39.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.8 mt -120.28 143.22 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -124.93 167.95 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.62 125.88 49.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 m -143.75 167.03 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.42 167.34 25.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.25 177.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -63.32 -43.87 96.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.55 -47.46 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -90.28 87.38 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -86.89 141.83 28.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -137.37 156.12 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -129.9 124.27 32.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.0 mtm -109.44 138.71 45.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -125.13 148.82 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -147.17 123.81 11.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.8 p -107.63 133.13 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -123.67 134.36 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.424 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 67.4 t -121.44 118.3 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -45.91 123.04 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.45 -38.33 3.07 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -99.99 157.04 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -97.25 -39.81 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -70.93 142.95 51.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.99 123.04 26.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.53 118.23 4.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.8 mtp -107.8 119.99 40.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.347 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -129.17 146.08 16.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.449 ' ND2' ' N ' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -137.95 133.95 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.85 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -167.81 133.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.8 m -40.48 -33.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -102.98 152.43 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -68.74 -50.54 49.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 55' ' ' LYS . 12.7 tmtt? -44.73 -63.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -54.45 29.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.49 -35.53 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -74.48 -38.68 62.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -69.09 -28.4 66.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.59 -46.88 29.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.71 -43.73 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.409 ' HB2' ' CG2' ' A' ' 4' ' ' ILE . . . -67.37 -31.51 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -74.15 -47.9 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -51.59 -58.78 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.543 ' CD2' HD12 ' A' ' 69' ' ' LEU . 43.8 t80 -45.47 -57.32 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.7 t -43.53 -53.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -48.87 -38.02 21.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.491 ' CE1' HG21 ' A' ' 72' ' ' ILE . 20.4 t80 -74.62 -38.48 62.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.543 HD12 ' CD2' ' A' ' 65' ' ' PHE . 37.5 mt -57.21 -40.2 76.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.95 -39.94 82.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -60.92 -47.43 86.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.491 HG21 ' CE1' ' A' ' 68' ' ' TYR . 27.7 pt -71.13 -4.24 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 22.4 t30 69.72 43.46 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -112.67 -23.0 10.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 69' ' ' LEU . 69.1 t -133.14 128.74 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -83.77 134.2 34.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.2 p -57.34 -22.12 40.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.85 -27.76 63.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -92.81 -35.96 13.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 85.8 t -61.99 138.69 95.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 111.103 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.885 0.374 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HE2' ' CZ ' ' A' ' 21' ' ' TYR . 2.5 mmmp? -60.32 -38.73 84.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -62.29 -13.31 27.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -92.2 -58.61 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.53 -34.95 78.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -62.36 -59.74 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.53 -49.88 74.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.436 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 82.1 t90 -47.14 -53.4 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.74 -40.31 79.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.36 -44.36 97.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -55.77 -35.97 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.436 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 26.2 mtp85 -88.24 13.13 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.0 tttt 65.61 47.32 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.3 mtm -142.51 156.82 45.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -136.29 124.29 14.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.165 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 147.76 63.66 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.71 116.95 26.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.499 ' CZ ' ' HE2' ' A' ' 5' ' ' LYS . 34.4 m-85 -102.49 144.58 30.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -143.69 115.37 8.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 55.3 mt -88.02 137.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -125.39 157.53 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.96 128.93 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -147.56 175.64 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.84 168.36 40.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -77.92 165.57 23.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -45.14 -55.38 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -68.63 -50.6 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -96.43 86.0 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -96.9 151.26 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -145.82 158.63 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -127.18 124.78 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtt -106.75 143.07 35.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 t -138.27 121.86 17.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -115.78 141.76 47.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 9.9 p -120.48 120.73 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.71 142.28 41.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.0 t -127.6 132.6 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -51.8 141.37 17.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.82 -29.64 6.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -107.48 149.41 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.27 -34.98 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -67.88 148.31 51.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.91 120.66 19.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.54 113.75 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.5 mtp -94.2 122.32 36.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.44 138.27 9.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.25 126.62 20.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -161.03 145.56 13.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 m -52.57 -26.87 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.135 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -95.15 154.78 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -83.11 -30.75 27.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -35.19 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -69.22 -52.08 31.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -66.52 -52.36 46.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -54.93 -40.92 70.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -64.25 -41.55 96.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.54 -58.51 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.67 -63.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.42 -51.88 4.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -51.07 -44.47 61.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.81 -55.0 38.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.4 t -40.71 -47.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -54.11 -39.57 66.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CE2' HD11 ' A' ' 72' ' ' ILE . 22.1 t80 -69.76 -37.1 76.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.15 -47.57 84.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.69 -42.12 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -57.82 -46.48 84.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.563 HD11 ' CE2' ' A' ' 68' ' ' TYR . 39.7 pt -75.08 1.95 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m120 66.05 42.0 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -105.79 -25.27 12.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.9 t -140.41 130.89 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -82.91 137.1 34.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.3 p -56.76 -26.67 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -56.85 -13.51 2.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -102.93 -35.07 8.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 98.3 t -62.89 138.81 97.24 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.572 0.701 . . . . 0.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.157 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -40.96 96.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -69.93 -28.62 65.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -64.82 -57.23 9.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.43 -58.19 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -44.16 -56.37 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.57 -54.29 45.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.551 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 84.6 t90 -47.9 -59.26 3.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.78 -52.8 55.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.14 -45.21 43.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -58.52 -28.69 65.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.551 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 25.9 mtp85 -99.58 22.81 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tptt 57.64 50.09 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.3 mtm -132.71 151.94 51.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 16.7 m -133.9 101.59 12.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.65 0.738 . . . . 0.0 111.168 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 54.1 Cg_endo -69.72 138.85 38.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.73 128.6 55.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.442 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 57.5 m-85 -107.67 139.95 41.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -138.28 118.02 13.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.6 mt -96.74 119.96 45.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -102.39 164.72 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.78 117.4 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.35 175.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.42 -165.34 13.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -103.98 152.8 21.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -22.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -89.32 -53.91 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -103.15 95.16 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -72.25 140.87 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -134.78 154.65 51.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -131.07 123.88 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 38.4 mtt -104.94 124.93 50.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.8 t -104.95 143.23 33.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -140.68 129.03 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.442 HG21 ' CZ ' ' A' ' 21' ' ' TYR . 11.8 p -120.17 124.63 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -114.59 148.48 37.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -140.74 121.93 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -43.49 148.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.52 -43.06 2.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -97.23 157.25 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.34 -40.92 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -70.96 147.54 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.7 141.99 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.09 107.71 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.8 mtp -96.55 131.59 43.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.38 138.7 9.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -127.64 131.24 49.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -167.08 146.4 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.2 p -56.42 -25.6 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -110.97 162.05 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -79.62 -51.97 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -43.87 -59.11 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.59 -54.72 43.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.37 -42.94 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -60.13 -46.77 88.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.7 m -56.51 -45.28 81.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -57.54 -50.33 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.15 -61.0 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.42 -62.67 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -44.71 -50.75 9.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -68.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -45.58 -45.07 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.3 t -51.26 -43.52 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.11 -38.79 80.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.493 ' CZ ' HG23 ' A' ' 72' ' ' ILE . 34.1 t80 -64.26 -34.8 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.0 mt -60.27 -45.8 92.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -62.12 -40.31 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -61.54 -43.9 98.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.493 HG23 ' CZ ' ' A' ' 68' ' ' TYR . 40.7 pt -77.89 -0.58 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 67.31 47.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -113.49 -21.27 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.449 HG21 ' NE1' ' A' ' 11' ' ' TRP . 96.8 t -139.53 142.03 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -91.32 136.29 33.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 p -59.67 -24.88 64.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.35 -18.02 56.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -99.01 -34.21 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 98.8 t -68.48 138.92 91.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.3 tp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.903 0.382 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -66.05 -40.27 90.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -71.27 -20.76 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.88 -60.19 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.4 tp -54.8 -48.87 72.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -52.74 -60.95 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.07 63.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.461 ' NE1' HG23 ' A' ' 75' ' ' VAL . 86.1 t90 -52.08 -49.23 63.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 m -64.5 -48.36 75.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.81 -42.92 29.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -57.73 -38.29 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.297 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -87.68 27.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tptt 53.36 39.16 29.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.448 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 32.0 mtm -120.16 156.14 31.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.3 m -134.64 101.54 11.82 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.96 31.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.25 128.7 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -108.48 131.09 55.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -130.19 155.26 46.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.6 mt -129.8 139.56 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -130.92 157.49 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.55 130.6 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.22 171.38 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.63 -166.83 34.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -107.53 157.99 17.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -42.6 -46.67 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -63.22 -51.49 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.91 80.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -67.52 132.42 47.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -137.02 155.9 49.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -130.22 134.65 47.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.7 mtt -117.7 118.67 32.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -108.42 141.33 40.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.4 mp0 -136.53 131.93 34.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.24 131.34 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -119.69 148.42 43.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 73.3 t -137.38 116.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -43.83 134.9 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.41 -40.26 2.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -98.14 159.17 15.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -97.41 -42.13 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -71.83 148.51 46.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.28 133.69 46.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.07 100.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.8 ptm -105.91 123.87 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.52 134.13 6.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -111.91 137.21 50.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.2 m -162.5 138.78 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.9 p -46.46 -38.94 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 6.5 p-10 -108.95 153.05 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.485 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 4.2 mtmp? -64.33 -49.7 70.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -38.35 -65.53 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -56.56 -50.8 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.79 -57.13 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 54' ' ' LYS . 2.8 mp0 -54.85 -38.79 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -67.08 -35.3 79.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -72.88 -38.05 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.92 -56.42 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.32 -56.79 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -51.49 -47.98 63.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.86 -59.76 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -55.55 -45.54 77.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.0 t -47.13 -39.16 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -64.87 -34.08 77.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.69 -31.98 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.1 mt -67.84 -41.45 82.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.5 t -69.43 -33.86 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -66.28 -32.59 74.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 26.3 pt -89.55 9.28 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 61.58 43.76 9.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -108.21 -31.6 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.461 HG23 ' NE1' ' A' ' 11' ' ' TRP . 64.2 t -136.6 141.81 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.65 133.53 35.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.3 t -52.31 -33.12 40.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.35 -19.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.36 -37.55 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 24.4 t -66.3 136.92 95.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.723 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 66' ' ' VAL . 5.3 tp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.896 0.379 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -58.33 3.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -54.14 -30.42 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 8.5 t80 -63.9 -56.53 14.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.4 tp -56.18 -54.45 45.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -49.35 -49.28 45.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.96 -49.76 73.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.525 ' CH2' HD23 ' A' ' 69' ' ' LEU . 86.8 t90 -53.84 -46.43 71.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 m -77.33 -11.34 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.47 -28.75 31.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.44 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -81.86 -26.76 33.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 8.0 mtp-105 -89.4 16.1 8.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? 61.95 47.78 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.458 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 49.6 mtm -131.62 154.24 49.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 m -132.84 101.68 13.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.62 35.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.59 133.36 54.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -107.61 136.82 46.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -145.5 119.48 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' A' ' 34' ' ' PHE . 5.4 mp -103.81 126.75 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -102.55 164.49 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.21 126.28 52.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.6 m -144.76 175.07 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.0 178.9 29.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -86.26 165.64 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -10.94 6.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 4.2 t-20 -94.44 -51.63 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -111.97 96.34 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' NE2' ' CZ ' ' A' ' 34' ' ' PHE . 15.1 tt0 -72.94 141.28 47.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -130.86 155.69 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.429 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 47.9 m-85 -130.95 126.45 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtt -111.72 111.47 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -99.56 135.63 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.71 133.61 43.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 p -118.14 117.59 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -107.75 135.66 48.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.458 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 99.2 t -122.39 130.31 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -56.9 139.94 50.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.5 -41.98 2.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -95.53 150.92 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -91.88 -30.04 16.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.5 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 13.1 t80 -74.27 144.85 44.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.64 112.19 10.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.21 114.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -107.57 135.97 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.57 146.26 15.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -132.54 140.12 48.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.7 m -169.26 151.98 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.6 p -63.86 -7.64 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.463 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 0.9 OUTLIER -138.08 158.08 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' LYS . 65.9 mttt -72.13 -57.08 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' LYS . 15.8 mtpt -35.74 -48.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' SER . 2.7 m-20 -71.96 -59.08 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.41 -32.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -66.73 -41.62 87.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' ASP . 17.2 t -66.53 -37.47 85.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.57 -46.6 82.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.41 ' O ' ' CG2' ' A' ' 66' ' ' VAL . . . -62.31 -34.59 76.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -72.57 -44.31 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.447 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 38.9 t70 -55.0 -51.59 65.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -61.29 -49.82 75.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 4' ' ' ILE . 76.2 t -49.69 -58.57 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -53.01 -35.24 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 45' ' ' TYR . 22.1 t80 -68.61 -37.63 79.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.525 HD23 ' CH2' ' A' ' 11' ' ' TRP . 72.4 mt -60.0 -41.44 92.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.8 t -65.93 -42.0 91.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -57.75 -43.3 85.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.9 pt -79.82 7.37 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.03 44.61 10.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -110.49 -24.1 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.458 HG22 ' NE1' ' A' ' 11' ' ' TRP . 90.3 t -137.05 141.02 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -92.9 135.59 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -59.06 -30.72 68.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.63 -23.2 16.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -92.06 -38.19 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 84.3 t -63.13 138.69 97.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.863 0.363 . . . . 0.0 111.103 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -52.35 -35.61 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -68.81 -24.76 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -76.7 -57.96 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.51 -47.83 78.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -57.26 -39.11 74.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.67 -50.77 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.405 ' NE1' HG22 ' A' ' 75' ' ' VAL . 85.3 t90 -60.3 -34.84 74.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 p -74.83 -39.5 61.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.86 -44.96 25.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -64.31 -38.39 90.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.725 0.298 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -82.02 13.59 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt 50.38 45.73 25.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.4 mtm -128.0 159.15 35.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.2 m -142.42 112.36 6.02 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.616 0.722 . . . . 0.0 111.121 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.82 36.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.49 125.24 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -101.45 133.68 45.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -134.22 116.31 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.9 mt -101.75 133.57 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -118.43 159.23 23.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.43 116.88 33.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.7 m -134.54 170.41 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.07 158.83 34.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -65.27 153.86 39.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -49.62 -32.79 13.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.463 ' N ' ' HD3' ' A' ' 29' ' ' LYS . 25.3 m-20 -70.86 -49.98 40.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -105.16 87.16 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -65.85 134.35 52.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -140.58 147.87 40.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 52' ' ' THR . 22.6 m-85 -123.68 145.96 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 77.6 mtp -126.46 114.14 17.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 t -101.65 146.71 27.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -141.96 120.32 12.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.4 p -106.61 127.1 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -121.43 132.98 55.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.5 t -123.6 128.78 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -50.77 154.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.85 -40.08 2.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -100.09 140.92 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.02 -31.89 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -74.81 146.36 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.54 121.21 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.45 133.61 3.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 ptp -118.6 129.7 55.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 50' ' ' ASN . . . -148.12 132.87 4.38 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 1.5 m-20 -130.6 123.75 30.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 t -172.18 129.01 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.431 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 9.9 t -47.11 -20.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.17 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -95.57 129.86 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -65.14 -47.3 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -51.69 -55.68 18.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.62 -54.73 38.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.25 -54.5 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -57.27 -52.0 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -52.3 -45.7 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -61.44 -46.96 87.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.89 -58.85 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.27 -59.25 5.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -47.55 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -41.85 66.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -68.34 -47.25 67.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -47.13 -36.11 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -63.98 -47.06 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -56.99 -36.52 70.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.8 mt -61.17 -45.26 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.62 -39.82 84.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -60.58 -43.71 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.0 pt -78.34 -1.39 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.1 t30 66.88 38.93 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -101.95 -19.93 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.405 HG22 ' NE1' ' A' ' 11' ' ' TRP . 96.7 t -144.81 130.21 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -80.14 133.81 36.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.2 p -58.0 -17.96 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.84 -18.73 57.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -98.54 -30.09 12.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 90.2 t -67.28 138.75 94.48 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.651 0.739 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.866 0.365 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -62.65 -54.91 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -50.57 -35.25 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -61.52 -54.81 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.446 HD12 ' CD2' ' A' ' 65' ' ' PHE . 34.7 tp -61.79 -35.9 79.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -67.94 -60.14 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.24 -41.85 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.426 ' NE1' HG21 ' A' ' 75' ' ' VAL . 89.9 t90 -61.13 -52.56 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.21 -33.01 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.17 -41.32 99.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -63.78 -23.47 67.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -102.33 20.63 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.4 mttp 56.26 50.47 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.9 mtm -131.56 155.45 47.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.402 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 27.0 m -138.44 105.02 7.74 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.582 0.706 . . . . 0.0 111.09 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 54.3 Cg_endo -69.77 147.98 64.01 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.394 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.34 121.6 43.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -105.15 132.57 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -134.82 147.44 49.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 24' ' ' ARG . 97.4 mt -123.67 144.54 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' N ' HG22 ' A' ' 23' ' ' ILE . 18.8 mtp85 -132.52 155.09 49.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.79 117.22 34.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 m -129.52 169.37 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.45 -171.67 28.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -105.14 172.1 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 pttp -57.74 -40.11 78.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -69.74 -43.24 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -115.33 82.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -72.6 132.49 43.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -129.99 156.67 44.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 31.3 m-85 -131.95 118.33 19.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.5 mtp -94.97 153.72 17.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -145.97 141.38 27.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -141.27 146.65 37.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 p -128.11 134.41 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.8 mtp-105 -118.77 150.99 38.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -141.42 135.83 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -60.29 149.4 33.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.67 -36.29 3.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -99.63 156.16 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -100.23 -39.63 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.45 150.42 35.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.56 104.63 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.43 129.42 19.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.62 153.39 39.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -153.73 132.1 3.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.84 134.4 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -166.66 139.15 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -41.01 -44.39 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -100.34 161.83 13.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 20.3 mtpt -78.05 -39.82 40.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -40.52 -68.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' SER . 2.9 m-20 -62.27 -54.84 34.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.85 -34.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -75.44 -40.27 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.7 p -66.57 -38.44 87.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -59.29 -42.92 92.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.36 -63.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.06 -44.13 31.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' ASP . 15.7 tpt180 -64.46 -57.5 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.4 m-20 -35.32 -65.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.446 ' CD2' HD12 ' A' ' 8' ' ' LEU . 31.8 t80 -39.93 -44.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.0 t -49.46 -49.07 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.433 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -56.45 -22.31 31.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -88.93 -27.11 21.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 mt -72.79 -30.96 64.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.33 -34.28 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -65.08 -34.06 77.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.448 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 30.2 pt -85.71 2.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 63.31 34.28 13.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -98.88 -28.17 13.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.426 HG21 ' NE1' ' A' ' 11' ' ' TRP . 40.0 t -135.9 137.73 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -81.69 123.02 28.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -55.22 -21.62 14.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.6 -16.49 61.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.13 -29.33 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.41 ' CG1' ' NH1' ' A' ' 63' ' ' ARG . 96.8 t -67.0 132.09 93.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 C-N-CA 122.695 2.263 . . . . 0.0 112.377 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.436 HD11 ' CG ' ' A' ' 81' ' ' PRO . 6.9 tp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.881 0.372 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.424 ' N ' HG21 ' A' ' 4' ' ' ILE . 6.3 tmtt? -61.68 -47.61 84.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -56.85 -35.14 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -58.59 -68.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.8 tp -53.74 -42.96 68.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -55.52 -53.38 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.63 -50.39 69.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.448 ' NE1' HG23 ' A' ' 75' ' ' VAL . 75.8 t90 -51.96 -41.72 62.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 m -73.92 -43.64 57.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.55 -31.09 69.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -66.87 -24.79 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 5.4 mtp-105 -106.36 31.74 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp 50.65 49.36 21.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.497 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 31.7 mtm -127.35 154.95 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.403 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 10.5 m -135.67 104.47 9.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.8 Cg_endo -69.72 135.11 29.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.323 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.43 123.23 46.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -110.09 145.01 37.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -145.6 126.65 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.1 mt -107.51 118.72 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -105.71 165.25 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.95 123.5 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.9 m -137.42 174.19 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.83 162.76 36.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.83 157.19 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -45.95 -55.88 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -58.14 -35.57 71.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -115.59 91.63 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -75.43 142.18 43.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -143.75 150.12 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -129.56 134.6 47.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtt -116.39 138.91 50.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.1 t -124.95 135.63 53.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -131.07 134.71 46.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.99 129.48 63.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -128.66 156.81 42.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 98.9 t -139.79 127.15 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -43.14 151.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.98 -43.0 3.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -93.82 152.1 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -108.91 29.12 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -114.2 151.61 32.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.78 104.93 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.88 121.26 5.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ptm -103.66 119.99 40.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.35 136.13 8.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -135.46 135.64 40.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -172.94 134.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.3 p -47.95 -25.26 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -103.07 143.91 31.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -67.54 -55.36 13.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -46.49 -48.58 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -51.99 62.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.35 -35.64 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -72.91 -39.6 66.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.9 p -68.81 -25.41 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -81.4 -41.9 21.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.64 -54.54 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.94 -46.12 74.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' ASP . 2.9 tmt_? -63.62 -57.69 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.6 OUTLIER -35.46 -50.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.41 -46.52 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' ARG . 91.9 t -46.31 -40.87 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -59.25 -41.52 88.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -63.15 -37.98 89.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.6 -43.11 97.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.52 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -59.63 -48.0 83.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.401 HD11 ' CG ' ' A' ' 74' ' ' GLU . 38.0 pt -71.78 -3.53 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.8 t30 71.37 44.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.401 ' CG ' HD11 ' A' ' 72' ' ' ILE . 23.0 mm-40 -111.21 -24.31 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.448 HG23 ' NE1' ' A' ' 11' ' ' TRP . 88.5 t -135.33 130.55 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -78.21 126.92 31.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.2 p -49.97 -37.0 30.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -46.62 -30.73 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -87.8 -31.13 19.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.51 128.2 93.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.436 ' CG ' HD11 ' A' ' 4' ' ' ILE . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.406 ' C ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -55.92 -32.71 64.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -63.75 -14.99 57.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -91.75 -56.28 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.0 tp -57.21 -47.08 82.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -49.98 -53.67 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.09 -60.82 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.403 ' NE1' HG22 ' A' ' 75' ' ' VAL . 55.2 t90 -42.26 -40.44 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.1 m -74.36 -47.75 32.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.92 -34.74 66.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -63.17 -30.77 71.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 5.9 mtp-105 -99.07 28.33 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp 55.79 44.44 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.4 mtm -125.59 152.91 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.4 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 30.4 m -134.87 101.64 11.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.2 Cg_endo -69.76 140.3 42.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.94 152.43 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.498 ' CE2' HG21 ' A' ' 38' ' ' VAL . 61.1 m-85 -134.6 139.79 45.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 23' ' ' ILE . 24.6 tp10 -137.47 149.52 46.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.4 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 67.9 mt -128.99 150.42 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -140.67 160.33 40.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.5 128.35 56.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.41 174.54 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.99 173.45 36.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -78.88 177.57 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -59.46 -43.75 93.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -78.59 -38.0 41.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -107.38 90.28 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -98.48 143.34 29.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -137.53 156.92 47.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -124.16 117.47 24.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 38.8 mtm -97.23 133.84 41.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.3 t -125.97 151.32 47.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -144.54 151.29 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 21' ' ' TYR . 9.8 p -135.26 132.43 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -128.38 142.08 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.8 t -132.6 123.42 49.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -48.32 139.25 8.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.19 -36.37 4.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.78 162.87 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -105.07 -34.97 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -66.86 144.78 56.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' GLY . . . -131.76 101.95 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' ALA . . . -35.47 145.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.3 mtm -132.3 134.72 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.97 132.95 5.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -130.57 134.79 47.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.9 t -173.33 154.23 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.3 p -60.94 -23.53 65.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.49 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 2.0 p-10 -115.6 147.15 41.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -68.55 -44.27 74.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.34 -66.59 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -60.8 -53.48 56.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.52 -42.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -70.66 -54.83 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.2 t -50.91 -41.05 58.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -61.51 -50.47 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.35 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.96 -62.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 66' ' ' VAL . 9.3 tpt180 -48.19 -58.55 4.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -38.52 -46.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -69.59 -34.19 73.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 63' ' ' ARG . 96.7 t -59.83 -36.36 65.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -62.43 -44.68 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -61.73 -33.79 74.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.8 -49.73 75.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.61 -42.72 85.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -55.9 -53.16 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 74' ' ' GLU . 46.0 pt -67.38 -5.0 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 71.81 40.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.426 ' HG2' ' CD1' ' A' ' 72' ' ' ILE . 26.8 mm-40 -107.15 -19.44 13.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.403 HG22 ' NE1' ' A' ' 11' ' ' TRP . 92.0 t -138.44 127.67 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -77.79 126.89 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 p -49.13 -36.79 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -45.73 -34.31 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -84.97 -36.79 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -63.03 131.0 94.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 tp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.898 0.38 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -41.68 61.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.0 -27.7 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -75.02 -60.19 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 tp -48.35 -52.45 21.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -51.48 -59.69 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.57 67.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.405 ' NE1' HG21 ' A' ' 75' ' ' VAL . 89.4 t90 -56.32 -53.45 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.11 -49.53 77.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.87 -29.29 61.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -66.8 -24.34 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -108.13 26.35 10.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.9 mttp 60.7 45.5 10.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.7 mtm -129.76 157.02 43.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.408 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 5.4 m -138.52 105.04 7.68 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.1 Cg_endo -69.78 137.73 36.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.38 135.34 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -119.3 134.99 54.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -131.7 126.19 33.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.4 mt -101.5 128.92 53.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 tpp85 -114.53 157.71 22.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.64 119.21 35.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 m -140.38 168.65 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.63 -164.26 13.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.532 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -98.48 165.22 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -49.53 -44.76 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -81.62 -39.39 24.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -95.15 84.04 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -79.9 135.9 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -132.57 157.21 45.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -133.76 109.91 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 mtt -97.69 101.56 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.7 t -97.9 144.01 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -144.64 132.22 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.9 p -109.47 148.51 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -140.37 143.01 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.46 118.0 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -48.32 125.06 8.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.12 -35.68 4.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -101.7 152.12 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -89.46 -46.76 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -63.45 142.82 58.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -132.04 109.54 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.01 128.63 2.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -122.72 135.56 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.34 132.62 4.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -131.81 136.66 47.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -173.77 150.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.0 p -55.71 -27.31 49.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -96.28 157.24 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -85.7 -43.36 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -57.81 -46.83 84.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.77 -47.43 78.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.14 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -65.62 -45.81 81.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 p -60.36 -37.85 82.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -66.73 -46.47 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.47 76.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.72 -65.45 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -45.2 -43.49 10.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.427 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -49.71 -58.05 6.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.97 -33.74 73.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.8 -55.0 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.9 OUTLIER -53.19 -32.0 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.73 -37.65 70.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.8 mt -56.67 -46.2 81.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.82 -42.26 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -55.15 -37.09 66.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.7 pt -88.43 4.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m120 64.18 43.42 4.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -106.94 -27.35 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.405 HG21 ' NE1' ' A' ' 11' ' ' TRP . 83.0 t -136.55 142.93 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -92.76 130.56 38.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -50.27 -38.7 42.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -47.68 -29.0 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -85.2 -31.66 23.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 88.9 t -69.37 138.56 89.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.636 0.731 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -71.65 -64.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -50.94 -17.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 9.1 t80 -76.99 -46.59 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.6 tp -76.85 -49.83 14.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -53.96 -44.66 70.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.27 -45.6 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.464 ' NE1' HG22 ' A' ' 75' ' ' VAL . 68.0 t90 -57.24 -50.0 74.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 m -64.91 -44.72 88.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.63 -42.24 58.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -61.7 -20.04 63.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -105.9 26.65 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 52.41 42.24 31.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.1 mtm -121.59 157.33 31.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.2 m -134.17 101.59 12.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 132.6 23.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.311 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.47 134.76 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -117.25 103.84 10.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.34 148.33 26.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 24' ' ' ARG . 84.2 mt -122.74 143.51 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' N ' HG22 ' A' ' 23' ' ' ILE . 38.4 mtp85 -131.84 163.81 27.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.9 120.14 36.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.5 m -134.83 159.65 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.64 -177.67 21.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -94.25 163.85 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -45.21 -58.0 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -67.31 -33.2 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -111.72 71.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -79.65 146.94 32.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -140.51 157.4 45.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.414 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 23.3 m-85 -125.14 108.64 11.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.0 mtp -96.91 120.81 37.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.5 t -113.9 149.34 35.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -142.95 142.94 31.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 12.4 p -113.61 147.77 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.434 ' CD ' ' HB3' ' A' ' 46' ' ' ALA . 6.9 mmm180 -131.54 147.12 52.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.0 118.73 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -45.16 147.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.72 -41.57 3.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -96.13 144.82 26.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -91.12 -25.29 19.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -75.51 142.59 42.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 38' ' ' VAL . . . -132.6 103.79 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' ALA . . . -35.1 135.56 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.464 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.0 ptm -121.25 137.5 54.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -154.18 137.43 5.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -127.51 146.19 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -174.83 131.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.1 p -41.31 -31.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.11 154.88 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HG2' ' CD2' ' A' ' 34' ' ' PHE . 2.1 mmmm -79.43 -49.14 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -48.13 -51.87 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ALA . 11.4 t70 -64.78 -58.24 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ASP . . . -35.46 -46.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.09 -58.23 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -47.89 -36.86 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.66 -33.93 73.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.36 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.34 -54.05 50.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.51 -32.94 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -67.51 -61.61 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -49.21 -22.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.14 -35.13 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.1 p30 -65.57 -34.86 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -72.2 -33.61 67.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.04 -50.13 73.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.7 t -56.39 -36.64 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -62.81 -49.52 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 25.5 pt -71.14 -0.37 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 67.43 37.64 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -103.97 -23.38 13.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.464 HG22 ' NE1' ' A' ' 11' ' ' TRP . 92.8 t -137.1 138.94 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.406 ' N ' HG12 ' A' ' 75' ' ' VAL . 23.2 mttm -90.45 130.38 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.6 p -53.04 -36.61 60.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -49.76 -25.31 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.99 -24.61 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.1 t -72.7 129.95 86.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.459 ' CB ' ' HG2' ' A' ' 63' ' ' ARG . 5.8 tp . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.951 0.405 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -62.47 -39.07 92.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -70.11 -28.09 65.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -72.86 -62.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.1 tp -57.42 -52.31 65.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -46.75 -62.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.35 -47.25 72.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.458 ' NE1' HG23 ' A' ' 75' ' ' VAL . 67.5 t90 -57.59 -35.66 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.6 m -73.4 -47.83 38.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.19 -43.86 88.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -55.97 -29.81 60.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.406 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 16.6 mtp85 -98.06 19.57 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 tptm 59.34 43.88 16.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 69.8 mtm -132.69 150.85 52.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -126.12 119.43 23.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.567 0.698 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.43 30.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.53 115.22 29.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -106.33 129.55 54.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.48 131.57 27.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.94 148.79 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -126.24 158.72 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.17 122.42 43.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.72 175.15 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.04 179.26 34.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 29' ' ' LYS . 24.5 m120 -83.85 147.71 27.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' ASN . 25.9 ttpt -37.94 -45.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -71.42 -47.19 57.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -99.87 93.93 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -81.04 139.67 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -135.26 157.27 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -131.84 123.23 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mtt -107.4 104.86 14.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.1 t -98.99 136.02 39.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -133.91 136.2 44.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.7 144.64 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -132.85 148.64 52.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 91.7 t -140.97 116.97 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -46.61 140.67 4.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.58 -27.5 20.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -112.13 156.14 22.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -95.76 -40.52 9.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -65.92 145.02 56.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.14 114.2 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.143 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.26 139.61 4.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -124.0 129.75 51.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.97 136.77 8.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -128.7 133.19 48.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.369 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -172.07 145.11 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.4 m -61.43 -28.35 69.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -94.09 148.1 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -74.74 -34.89 62.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -19.08 56.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -88.84 -33.62 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.35 -27.22 68.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -74.64 -53.64 8.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.7 t -53.52 -27.16 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -81.35 -33.55 32.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.42 -54.19 15.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.8 79.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HG2' ' CB ' ' A' ' 4' ' ' ILE . 5.0 mmm180 -60.95 -20.92 62.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.475 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 40.3 t0 -77.29 -62.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -47.63 -29.15 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.418 HG21 ' CD1' ' A' ' 4' ' ' ILE . 82.7 t -60.85 -49.79 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 1.1 p30 -48.18 -32.38 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.452 ' CE1' HD11 ' A' ' 72' ' ' ILE . 34.6 t80 -79.19 -28.95 42.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 mt -68.91 -28.01 66.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.8 t -85.95 -42.14 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -60.17 -32.73 71.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.452 HD11 ' CE1' ' A' ' 68' ' ' TYR . 23.5 pt -84.04 -5.1 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.8 t30 72.7 36.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -103.76 -26.25 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.458 HG23 ' NE1' ' A' ' 11' ' ' TRP . 96.0 t -135.65 140.95 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -92.06 131.19 37.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.8 p -56.26 -23.89 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.04 -24.76 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -93.36 -36.16 12.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.458 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 97.4 t -62.87 138.66 97.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.458 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.3 tp . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.884 0.373 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.46 ' HE2' ' CE1' ' A' ' 21' ' ' TYR . 1.8 tmtt? -47.53 -47.56 27.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -54.71 -32.75 60.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.559 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 74.4 t80 -67.09 -62.08 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.44 -53.68 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.78 -68.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.43 -39.56 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.42 ' CH2' HD21 ' A' ' 69' ' ' LEU . 88.0 t90 -62.18 -48.37 80.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 m -64.59 -45.72 85.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.7 -41.9 43.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -60.59 -38.52 84.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 24.0 mtp85 -87.93 18.62 4.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 57.32 45.78 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 23.7 mtm -127.17 154.89 44.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.408 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 5.4 m -132.87 101.6 13.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.694 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.5 Cg_endo -69.76 133.94 26.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.17 139.54 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.46 ' CE1' ' HE2' ' A' ' 5' ' ' LYS . 83.5 m-85 -121.2 122.5 40.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -119.02 130.52 55.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.1 mt -110.08 135.75 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -121.57 161.18 22.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.4 ' C ' HG13 ' A' ' 26' ' ' VAL . . . -113.93 122.57 47.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.4 HG13 ' C ' ' A' ' 25' ' ' ALA . 28.4 m -142.33 174.53 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.06 164.36 28.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -67.82 160.89 27.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -46.05 -45.46 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -77.86 -46.46 21.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -93.48 90.54 6.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -91.78 140.67 29.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -135.49 158.82 43.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -126.64 115.64 19.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.9 mtt -99.25 110.82 23.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -103.27 140.94 36.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -137.06 146.42 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.4 p -127.41 146.35 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -139.1 147.83 42.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 74.1 t -139.63 123.25 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -45.44 136.08 5.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.76 -43.19 1.73 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -94.52 147.21 23.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -94.25 -37.46 11.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.27 138.1 55.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.76 134.56 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.54 133.83 38.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mmt -108.15 131.75 54.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.04 133.02 6.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -138.05 122.26 18.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -164.25 145.97 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -56.19 -32.06 64.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -106.76 157.57 17.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -70.21 -49.76 46.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -42.99 -60.94 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.69 -52.91 63.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.68 -56.58 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.98 -44.68 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.5 m -60.99 -42.4 98.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -59.7 -53.81 53.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.78 -58.95 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.97 26.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -48.56 -29.71 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 15.2 t70 -70.93 -65.93 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -45.19 -37.12 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.0 t -54.35 -41.01 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.9 OUTLIER -63.98 -39.32 93.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.476 ' CE2' HD11 ' A' ' 72' ' ' ILE . 30.6 t80 -63.1 -43.76 97.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.42 HD21 ' CH2' ' A' ' 11' ' ' TRP . 56.2 mt -57.52 -51.51 69.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.1 t -53.06 -45.19 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.1 mmt-85 -58.03 -51.86 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.476 HD11 ' CE2' ' A' ' 68' ' ' TYR . 20.3 pt -69.55 -1.96 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 69.6 33.91 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' CA ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -93.14 -26.6 17.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.418 HG22 ' NE1' ' A' ' 11' ' ' TRP . 67.5 t -146.54 132.24 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.62 149.67 26.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 p -70.61 -26.85 63.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -54.45 -20.43 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -97.21 -29.45 13.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.559 HG21 ' CZ ' ' A' ' 7' ' ' PHE . 95.6 t -64.38 138.81 97.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.2 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.897 0.38 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -64.19 -39.33 93.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.62 -22.49 56.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -81.21 -63.17 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 tp -50.49 -36.89 35.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -64.26 -49.05 73.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.7 92.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -71.36 -38.33 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 1.7 p -66.31 -41.51 89.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.437 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -53.72 -41.44 65.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -55.45 -33.96 64.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -96.45 7.4 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? 59.59 50.73 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.4 mtm -130.29 162.84 28.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.6 m -139.3 115.45 8.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.551 0.691 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.8 24.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.69 119.66 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -105.89 115.95 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -135.27 127.66 30.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 mp -104.81 132.72 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -104.86 160.39 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.61 121.37 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.53 172.63 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.23 172.19 33.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -74.59 160.06 31.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -52.53 -37.94 58.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -73.57 -49.34 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -102.19 95.88 6.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.54 142.56 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.01 157.03 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -126.24 123.25 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.3 mtp -105.78 107.76 18.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 t -98.3 127.34 44.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -133.68 124.99 27.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 p -106.2 132.94 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -118.33 141.28 48.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -131.97 119.37 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.22 139.79 10.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.9 -37.81 3.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.534 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -102.21 145.94 28.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -84.61 -40.62 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.88 148.72 49.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.45 119.23 18.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.54 118.73 5.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 ptm -111.35 140.43 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -146.42 136.93 6.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.8 133.97 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.0 m -165.0 171.03 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.41 -27.76 37.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -119.68 157.55 28.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -69.57 -42.99 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -43.67 -60.8 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.07 -54.51 32.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.31 -42.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -61.07 -47.37 86.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -59.13 -43.62 92.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -58.75 -48.78 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.22 -64.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.21 -51.13 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -54.98 -40.47 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.494 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 5.9 t0 -59.58 -58.27 9.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -52.77 -42.35 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.9 t -48.67 -52.82 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.7 OUTLIER -58.01 -43.69 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.489 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 37.7 t80 -56.72 -33.53 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.8 mt -69.67 -43.55 72.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.15 -33.33 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -66.23 -41.39 90.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.457 HG13 ' CG ' ' A' ' 74' ' ' GLU . 12.3 pt -84.38 15.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 73' ' ' ASN . 0.5 OUTLIER 55.97 40.29 30.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.457 ' CG ' HG13 ' A' ' 72' ' ' ILE . 6.0 mm-40 -105.13 -23.27 12.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.7 t -137.17 140.85 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -92.96 128.09 38.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.3 p -51.43 -31.25 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -51.72 -28.54 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -91.12 -26.46 19.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 84.9 t -69.81 138.67 88.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.8 tp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -58.45 7.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -46.64 -36.69 7.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -65.52 -67.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.1 tp -47.27 -48.08 24.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -51.61 -54.03 32.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.09 75.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.457 ' NE1' HG22 ' A' ' 75' ' ' VAL . 90.3 t90 -53.74 -42.41 68.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -79.47 -23.7 42.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.24 -22.06 76.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -90.82 -32.29 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.8 mtt-85 -85.53 26.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.74 47.01 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.5 mtm -133.53 157.45 45.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 m -134.73 110.86 11.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 147.99 63.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.87 125.89 42.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -109.79 144.08 38.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -139.93 120.1 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -99.23 134.66 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -120.97 166.67 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.54 117.81 31.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.48 172.04 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.32 -164.51 20.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -104.89 168.14 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -50.96 -53.9 28.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -64.95 -48.45 74.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -99.75 92.46 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -89.45 135.64 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -134.55 164.88 26.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.31 139.6 45.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.2 mtp -115.72 116.98 29.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.7 t -109.95 123.94 50.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -123.36 129.36 51.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.1 p -106.46 136.31 41.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -127.49 144.91 51.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.8 t -136.03 121.88 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -48.37 153.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.3 -45.56 2.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.442 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -90.51 158.37 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -98.62 -38.37 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -63.69 153.26 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.73 114.55 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.49 123.72 31.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 mtt -110.28 131.3 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.12 152.63 20.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -144.85 133.3 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.459 ' HB2' ' CA ' ' A' ' 57' ' ' ALA . 3.1 m -169.62 136.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.7 p -49.63 -28.1 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -114.99 142.07 47.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 55' ' ' LYS . 51.9 mttt -56.29 -58.32 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 54' ' ' LYS . 15.5 tptp -34.31 -61.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.94 -55.28 36.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.459 ' CA ' ' HB2' ' A' ' 51' ' ' SER . . . -40.69 -52.49 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -55.23 -42.7 73.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.1 m -62.81 -39.68 95.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -65.08 -49.73 68.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.64 -59.76 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' ARG . . . -54.95 -62.95 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' ALA . 4.5 ttp180 -35.9 -45.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -58.91 -61.48 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -51.99 -38.88 58.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.0 t -52.13 -44.56 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.55 -47.69 84.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -53.07 -41.1 64.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.2 mt -58.36 -53.23 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.2 t -56.38 -37.61 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -62.48 -41.99 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.434 ' CG1' ' OE2' ' A' ' 74' ' ' GLU . 26.7 pt -83.72 -0.76 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m120 72.13 39.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.434 ' OE2' ' CG1' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -103.15 -27.19 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.457 HG22 ' NE1' ' A' ' 11' ' ' TRP . 97.8 t -137.86 133.17 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -87.32 132.34 33.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.2 p -52.17 -31.86 33.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -54.41 -24.12 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.51 -35.59 15.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.44 133.0 95.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.896 0.379 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HE3' ' CZ ' ' A' ' 21' ' ' TYR . 8.0 tptm -75.56 -55.49 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -47.91 -27.92 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -70.33 -64.25 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.07 -54.96 16.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -49.27 -59.25 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.93 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.449 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 76.0 t90 -55.27 -54.03 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' SG ' ' CB ' ' A' ' 17' ' ' MET . 1.8 t -56.84 -41.88 78.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.77 -39.11 93.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -60.25 -31.25 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 29.7 mtp180 -92.61 17.42 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp 59.85 44.02 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.405 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 71.0 mtm -129.68 163.49 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.404 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 10.8 m -139.71 108.3 7.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.57 0.7 . . . . 0.0 111.159 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.8 Cg_endo -69.77 133.41 25.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.16 141.4 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CZ ' ' HE3' ' A' ' 5' ' ' LYS . 66.8 m-85 -122.45 126.55 48.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -120.72 118.71 30.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.4 mt -101.98 123.02 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -109.84 162.75 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.26 120.76 38.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -149.0 150.36 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.24 166.66 12.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -63.51 172.5 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -76.42 -3.4 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -100.46 -53.41 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -116.26 76.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.93 154.56 29.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -129.61 158.92 37.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -133.58 111.97 11.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.9 mtp -94.92 109.82 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.3 t -102.28 121.61 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -119.96 145.52 46.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.4 p -124.14 145.42 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -133.65 146.64 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -138.07 124.29 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -49.22 142.35 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.14 -39.69 2.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -95.8 148.31 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -92.67 -34.4 13.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -67.64 147.54 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.38 114.56 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.16 135.21 17.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.2 mtp -131.29 130.42 42.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -145.14 134.97 5.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -113.69 136.3 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -166.01 140.48 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.2 p -61.06 -22.99 65.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -107.62 140.31 40.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -61.8 -51.95 66.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -50.35 -54.11 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' ALA . 24.7 t0 -57.65 -59.4 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ASP . . . -36.97 -46.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -57.29 -58.14 9.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 m -45.72 -38.58 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -69.61 -47.66 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.9 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.37 -60.67 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -48.8 -44.41 39.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.85 -55.41 20.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.13 -40.69 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.9 t -49.75 -45.67 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -55.0 -29.73 57.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -79.48 -28.28 41.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 24.0 mt -71.4 -29.01 64.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.8 t -84.7 -38.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -62.93 -35.08 78.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.3 pt -80.99 -5.16 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 71.68 42.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -111.0 -28.4 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.439 HG21 ' NE1' ' A' ' 11' ' ' TRP . 77.1 t -130.75 130.31 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -83.84 126.81 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t -49.52 -26.88 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -55.07 -32.57 62.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.2 -30.33 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.1 t -64.68 131.38 95.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.381 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 5' ' ' LYS . 8.0 tp . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.902 0.382 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.442 ' N ' ' CG2' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -36.49 -60.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -43.47 -38.7 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 4' ' ' ILE . 66.0 t80 -62.71 -66.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 tp -48.03 -54.7 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -47.58 -62.08 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.84 57.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.459 ' NE1' HG22 ' A' ' 75' ' ' VAL . 77.3 t90 -54.53 -48.66 71.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.403 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 11.8 m -63.16 -50.67 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.53 -45.96 46.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -53.95 -30.26 46.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.727 0.299 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -97.86 21.54 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.2 mttt 55.76 39.0 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.2 mtm -123.51 162.87 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 m -138.25 111.25 8.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD3' ' CB ' ' A' ' 12' ' ' CYS . 53.7 Cg_endo -69.78 131.82 21.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.61 124.23 39.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -110.11 126.88 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -134.58 141.38 46.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.8 mt -118.59 142.72 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -129.79 167.99 17.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.28 128.58 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.14 175.71 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.0 -161.31 30.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -107.27 171.76 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -63.87 -26.12 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -75.41 -45.85 36.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -116.03 86.95 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.94 140.16 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.03 156.12 48.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.442 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 24.0 m-85 -129.5 108.95 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.4 mtp -93.58 132.62 37.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -127.45 142.82 51.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -138.45 134.48 34.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.51 124.51 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -114.58 148.59 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.0 t -136.28 113.78 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -43.4 130.08 5.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.61 -43.74 1.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -94.73 151.75 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.893 0.377 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -89.25 -42.37 11.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -67.38 137.08 55.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.47 107.67 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.67 133.87 2.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.429 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -129.9 153.08 48.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -155.44 140.97 7.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -128.15 117.53 21.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 m -152.1 167.01 29.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -78.49 -35.15 46.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -93.75 143.32 26.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 76.2 mttt -66.02 -47.68 73.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -53.11 -57.32 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -55.4 -58.05 9.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.71 -54.72 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -54.17 -43.82 70.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.3 t -62.25 -40.69 97.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -60.81 -45.96 92.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.87 53.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.053 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.82 80.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -31.95 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.97 -63.71 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -44.48 -34.36 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -55.67 -46.45 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -58.82 -36.16 74.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -67.6 -34.0 76.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.406 ' CD1' HG21 ' A' ' 75' ' ' VAL . 52.5 mt -64.65 -49.24 71.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.3 t -56.19 -42.97 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.7 mmt-85 -56.95 -52.54 64.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 26.1 pt -70.67 -0.63 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 68.08 42.28 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -106.56 -16.78 14.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.459 HG22 ' NE1' ' A' ' 11' ' ' TRP . 88.0 t -141.92 141.47 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -91.08 126.47 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 p -50.12 -32.03 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -53.23 -29.75 34.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -87.28 -36.63 17.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.82 131.45 94.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.678 0.752 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 7.8 t -129.41 43.37 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.1 p -142.04 166.75 23.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -103.21 -179.2 26.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 t -112.57 99.09 7.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.822 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -126.85 82.37 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.01 166.92 24.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.9 tp -84.8 -28.66 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.906 0.384 . . . . 0.0 111.187 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -69.25 -51.14 40.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -58.29 -24.19 58.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.406 ' CE1' HG13 ' A' ' 66' ' ' VAL . 10.0 t80 -68.5 -56.78 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.55 -51.19 70.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -56.11 -38.03 70.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.04 76.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.547 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 90.1 t90 -70.11 -36.38 74.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 1.3 p -76.01 -41.83 49.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -52.04 -44.44 56.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -68.07 -35.21 77.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.547 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 13.7 mtp85 -85.9 18.07 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm 49.21 49.08 20.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.4 ' O ' ' SG ' ' A' ' 12' ' ' CYS . 50.8 mtm -134.4 160.06 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.6 m -142.62 118.88 6.84 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 144.13 52.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.68 117.45 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.529 ' CD2' ' OE1' ' A' ' 58' ' ' GLN . 14.6 m-85 -100.28 137.95 38.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -137.67 120.75 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 24' ' ' ARG . 38.9 mt -92.11 143.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.435 ' N ' HG22 ' A' ' 23' ' ' ILE . 23.9 mtm180 -132.56 161.18 34.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.86 126.2 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.6 m -149.26 173.7 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.53 -156.23 19.41 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -107.69 178.52 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -67.96 -53.64 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -57.23 -47.75 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 mmt-85 -117.19 108.3 15.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -96.87 158.99 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -143.08 158.77 43.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -126.98 104.4 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.0 mtt -88.05 127.24 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.9 t -117.17 130.2 56.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -121.57 126.83 50.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.4 p -107.86 130.5 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 12.9 mtp-105 -121.72 145.15 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.6 t -133.37 115.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -45.77 139.34 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.36 -34.12 5.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -105.69 155.0 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -93.8 -42.4 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.41 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 47.1 t80 -61.89 149.41 40.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.56 123.14 24.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.0 127.43 44.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.8 ptm -109.5 130.02 55.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.27 134.09 7.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -127.38 132.33 50.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m -173.57 136.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.9 m -53.09 -29.64 31.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -101.16 151.03 22.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -72.74 -47.44 46.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -50.78 -48.28 59.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.51 -52.82 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.91 -44.14 6.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.529 ' OE1' ' CD2' ' A' ' 21' ' ' TYR . 34.5 mm-40 -61.45 -52.09 65.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.5 m -56.42 -44.44 80.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -59.06 -53.0 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.88 -52.46 6.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.26 -63.49 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.31 -39.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.05 -58.06 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -53.66 -40.22 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG13 ' CE1' ' A' ' 7' ' ' PHE . 66.2 t -53.0 -48.92 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -56.33 -44.65 80.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.555 ' CE1' HG21 ' A' ' 72' ' ' ILE . 25.3 t80 -57.66 -43.65 85.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.7 mt -55.64 -51.86 65.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.13 -43.54 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 4.9 mmm180 -60.94 -52.43 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.555 HG21 ' CE1' ' A' ' 68' ' ' TYR . 19.0 pt -67.31 -3.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.449 ' C ' ' OE1' ' A' ' 74' ' ' GLU . 2.6 m-80 71.18 35.18 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.496 ' OE1' ' N ' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -94.72 -33.19 13.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.446 HG22 ' NE1' ' A' ' 11' ' ' TRP . 93.8 t -135.76 140.48 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -91.09 138.59 31.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.6 p -53.89 -31.56 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -47.83 -28.32 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -88.9 -31.69 18.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 87.1 t -65.11 138.75 97.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.75 152.65 69.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.19 161.17 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.04 107.94 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.17 -43.69 0.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.463 HD13 ' N ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -66.33 148.16 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.353 . . . . 0.0 111.182 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.7 t -134.47 85.03 38.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 111.159 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.62 18.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.278 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.33 64.62 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' GLY . 54.0 Cg_endo -69.72 -15.95 37.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.36 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -41.68 94.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 89' ' ' PRO . . . 157.9 83.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.463 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 101.02 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m 55.93 49.37 16.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.5 p -116.98 -46.92 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 73.9 m -88.05 164.93 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.9 p -168.01 153.53 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -71.24 155.87 52.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.3 m -67.66 143.17 56.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 p -107.99 -55.13 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.67 -142.89 6.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.4 tp -72.83 -24.56 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.497 ' HE2' ' CZ ' ' A' ' 21' ' ' TYR . 10.9 tmtt? -56.61 -51.37 68.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -56.56 -37.33 70.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.413 ' CZ ' HG23 ' A' ' 80' ' ' VAL . 76.0 t80 -59.04 -59.89 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.9 -61.74 2.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -39.96 -56.18 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.59 -56.54 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.525 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 88.8 t90 -47.3 -55.89 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' SG ' ' CB ' ' A' ' 17' ' ' MET . 1.8 t -56.02 -43.93 78.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.75 -38.88 97.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -58.4 -30.3 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.304 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.525 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 6.2 mtp-105 -96.36 19.65 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 61.38 49.94 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 25.6 mtm -134.09 161.06 35.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.3 m -139.9 104.94 6.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 145.49 57.57 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.02 143.28 35.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.497 ' CZ ' ' HE2' ' A' ' 5' ' ' LYS . 65.6 m-85 -124.37 129.06 50.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -143.01 122.91 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.436 HG23 ' N ' ' A' ' 24' ' ' ARG . 5.3 mp -98.1 151.7 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.436 ' N ' HG23 ' A' ' 23' ' ' ILE . 24.2 ttt180 -127.92 161.11 29.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.82 122.57 46.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 m -137.25 173.99 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.49 153.64 15.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -63.31 161.82 13.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -43.65 -49.54 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -62.53 -53.04 60.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -97.09 86.98 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -91.07 141.76 28.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -141.52 162.71 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -126.16 114.67 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.9 mtp -98.43 118.6 35.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.3 t -113.05 134.95 54.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -132.13 146.19 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.435 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 7.1 p -121.14 149.37 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 13.6 mtp-105 -137.8 137.78 38.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.09 123.52 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -48.36 144.99 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.96 -41.66 2.49 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -97.14 161.3 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -102.08 -46.7 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.92 145.73 51.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.435 ' CB ' ' O ' ' A' ' 38' ' ' VAL . . . -132.88 125.69 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.08 132.18 45.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.462 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -124.09 140.87 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.05 133.47 5.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.539 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -114.54 121.42 43.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -150.4 170.61 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.2 p -86.8 -23.23 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -111.26 143.66 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -55.13 -54.62 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -53.62 -55.23 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -50.16 -55.7 14.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.08 -44.78 52.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -56.9 -47.49 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -56.03 -43.65 78.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -64.11 -51.32 64.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.42 -54.77 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.21 -58.02 9.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -43.34 -57.09 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -43.38 -54.56 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.21 -50.92 69.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.6 t -42.41 -48.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -52.83 -37.96 60.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.424 ' CE1' HD13 ' A' ' 72' ' ' ILE . 28.3 t80 -72.42 -30.95 65.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.436 HD21 ' CH2' ' A' ' 11' ' ' TRP . 31.6 mt -71.76 -26.83 62.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.962 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.3 t -87.35 -37.47 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -64.36 -31.8 73.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.424 HD13 ' CE1' ' A' ' 68' ' ' TYR . 16.6 pt -85.51 -0.15 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.3 t30 70.69 37.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -105.02 -23.52 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.456 HG23 ' NE1' ' A' ' 11' ' ' TRP . 95.7 t -139.82 134.43 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -88.42 127.1 35.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -47.56 -37.63 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.11 -33.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -85.26 -35.54 21.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.413 HG23 ' CZ ' ' A' ' 7' ' ' PHE . 87.8 t -63.15 133.12 95.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.623 0.725 . . . . 0.0 111.129 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 158.16 57.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.2 159.62 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 84' ' ' GLY . 0.2 OUTLIER -100.13 112.46 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 83' ' ' VAL . . . -33.96 -91.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -71.05 132.26 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.879 0.371 . . . . 0.0 111.167 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.4 t -131.71 82.48 60.59 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.589 0.709 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.83 23.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.635 2.224 . . . . 0.0 112.375 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 147.64 63.24 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.82 31.34 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -99.19 83.39 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.01 84.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 137.64 35.92 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 76.9 p -59.8 149.11 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.0 m -156.54 132.64 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.2 t -120.58 -47.72 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 59.4 m -63.31 103.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 76.29 168.99 28.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 t -139.22 144.06 38.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.846 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -104.36 95.9 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.51 -173.2 41.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.3 tp -80.97 -30.93 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.917 0.389 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -55.61 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -48.74 -40.49 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.498 ' CE2' HG21 ' A' ' 80' ' ' VAL . 80.7 t80 -56.79 -57.06 14.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.45 -57.3 13.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -47.55 -56.73 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.66 77.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.8 t90 -51.59 -54.15 30.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -59.75 -50.76 72.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.08 -43.91 13.67 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -63.66 -32.79 74.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mtp85 -92.42 29.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.57 40.89 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.7 mtm -124.5 155.89 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.405 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 23.2 m -134.92 101.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.169 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.5 Cg_endo -69.81 132.37 23.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.3 143.92 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -125.54 117.59 23.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -122.31 122.76 39.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.1 mt -107.75 128.14 63.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -111.04 158.94 18.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.42 130.86 52.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.2 m -143.08 174.9 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.37 151.29 27.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -76.68 160.64 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -25.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.436 ' ND2' ' HG2' ' A' ' 31' ' ' ARG . 4.1 t30 -74.97 -53.8 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.436 ' HG2' ' ND2' ' A' ' 30' ' ' ASN . 28.3 mmm-85 -117.04 107.26 14.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? -90.03 139.74 30.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -145.23 155.2 43.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -125.65 137.95 53.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 73.0 mtp -116.74 113.25 22.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.4 t -105.41 127.91 53.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -123.21 136.6 54.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 p -115.57 144.67 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 14.6 mtp-105 -138.44 140.79 39.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.513 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 77.9 t -125.49 124.27 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -47.34 137.04 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.01 -42.82 1.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -96.29 143.56 27.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -84.76 -42.35 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -63.38 148.37 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.88 139.66 50.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.0 131.89 14.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -113.56 131.34 56.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.97 132.39 5.7 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -119.06 144.98 46.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -174.15 149.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -65.25 -32.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -110.22 127.61 55.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -46.42 -52.94 12.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -41.82 -55.27 3.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.11 -47.03 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.91 -54.34 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -48.6 -46.49 39.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 m -60.08 -44.35 94.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -59.5 -52.29 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.83 -57.7 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.22 -50.12 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -49.39 -53.6 21.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -49.32 -49.78 42.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.513 ' CZ ' HG22 ' A' ' 40' ' ' VAL . 48.2 t80 -56.03 -55.67 30.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' PHE . 99.5 t -35.81 -51.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -47.49 -47.05 27.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.425 ' CZ ' HG22 ' A' ' 72' ' ' ILE . 14.7 t80 -63.59 -38.35 90.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.9 mt -60.14 -41.62 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.1 t -68.74 -41.32 82.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -59.85 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.425 HG22 ' CZ ' ' A' ' 68' ' ' TYR . 25.2 pt -65.61 -9.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m120 74.12 42.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -107.1 -44.08 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.9 t -117.28 128.19 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -81.23 126.95 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.3 p -46.12 -35.8 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -44.64 -34.54 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.13 -37.58 18.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 7' ' ' PHE . 99.3 t -64.81 138.9 97.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.2 Cg_endo -69.77 150.13 67.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.99 158.94 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -6.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.06 -144.91 7.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' VAL . 5.3 pt -94.47 119.78 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.388 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.458 ' N ' ' CD ' ' A' ' 87' ' ' PRO . 27.6 m 34.35 53.56 1.45 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.599 0.714 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 86' ' ' VAL . 54.1 Cg_endo -69.71 148.68 65.9 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.7 65.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.86 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.381 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.9 p -173.6 145.34 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.98 170.56 29.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 142.9 49.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.368 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -124.88 132.86 53.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.2 p -88.21 -54.61 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.4 m -83.56 107.29 15.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 83.9 p -85.1 157.6 20.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 72.43 157.89 3.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.4 m -65.95 149.11 50.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.5 m -97.34 -59.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.46 -154.81 24.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.446 HG21 ' N ' ' A' ' 5' ' ' LYS . 3.1 tp -106.41 -28.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' N ' HG21 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -66.14 -29.44 69.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -70.73 -17.31 62.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -86.61 -61.49 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.6 tp -49.2 -49.27 43.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -51.25 -54.03 29.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -52.99 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.409 ' NE1' HG21 ' A' ' 75' ' ' VAL . 85.0 t90 -49.4 -50.81 38.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -76.91 -17.48 58.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.31 -30.4 56.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -85.45 -29.54 24.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.732 0.301 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -84.0 19.84 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm 57.18 48.04 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.424 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 54.0 mtm -132.9 159.68 39.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.9 m -136.73 105.06 9.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 126.92 13.79 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.269 . . . . 0.0 112.284 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.95 124.74 39.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -108.06 130.13 55.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -138.28 141.07 39.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 79.8 mt -120.28 143.22 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -124.93 167.95 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.62 125.88 49.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 m -143.75 167.03 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.42 167.34 25.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.25 177.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -63.32 -43.87 96.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.55 -47.46 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -90.28 87.38 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -86.89 141.83 28.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 tptm -137.37 156.12 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -129.9 124.27 32.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.0 mtm -109.44 138.71 45.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -125.13 148.82 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -147.17 123.81 11.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.8 p -107.63 133.13 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -123.67 134.36 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.424 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 67.4 t -121.44 118.3 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -45.91 123.04 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.45 -38.33 3.07 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -99.99 157.04 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -97.25 -39.81 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -70.93 142.95 51.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.99 123.04 26.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.104 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.53 118.23 4.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.8 mtp -107.8 119.99 40.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.347 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -129.17 146.08 16.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' ND2' ' N ' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -137.95 133.95 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.85 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -167.81 133.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 26.8 m -40.48 -33.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -102.98 152.43 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 69.5 mttt -68.74 -50.54 49.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 55' ' ' LYS . 12.7 tmtt? -44.73 -63.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -54.45 29.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.49 -35.53 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -74.48 -38.68 62.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -69.09 -28.4 66.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.59 -46.88 29.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.71 -43.73 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.409 ' HB2' ' CG2' ' A' ' 4' ' ' ILE . . . -67.37 -31.51 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.4 mmt85 -74.15 -47.9 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -51.59 -58.78 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.543 ' CD2' HD12 ' A' ' 69' ' ' LEU . 43.8 t80 -45.47 -57.32 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 31.7 t -43.53 -53.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -48.87 -38.02 21.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.491 ' CE1' HG21 ' A' ' 72' ' ' ILE . 20.4 t80 -74.62 -38.48 62.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.543 HD12 ' CD2' ' A' ' 65' ' ' PHE . 37.5 mt -57.21 -40.2 76.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.95 -39.94 82.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -60.92 -47.43 86.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.491 HG21 ' CE1' ' A' ' 68' ' ' TYR . 27.7 pt -71.13 -4.24 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 22.4 t30 69.72 43.46 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -112.67 -23.0 10.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.466 ' CG2' ' HB3' ' A' ' 69' ' ' LEU . 69.1 t -133.14 128.74 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -83.77 134.2 34.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.2 p -57.34 -22.12 40.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.85 -27.76 63.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -92.81 -35.96 13.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 85.8 t -61.99 138.69 95.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 111.103 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.9 Cg_endo -69.78 -178.12 2.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.88 157.64 20.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.035 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.43 110.12 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.55 -23.82 4.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.9 mt -105.94 127.94 60.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.47 ' CG2' ' HD2' ' A' ' 87' ' ' PRO . 4.5 p -157.25 138.77 9.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 111.128 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 86' ' ' VAL . 53.5 Cg_endo -69.75 146.98 61.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.643 2.229 . . . . 0.0 112.352 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.82 68.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.49 7.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t 64.66 42.38 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.18 -162.65 20.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 98.63 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -66.91 169.59 7.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.8 p -127.73 -40.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 6.2 m -50.31 133.38 24.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.1 m 40.59 50.4 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -98.88 -37.77 4.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m -118.82 167.66 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -151.91 165.49 34.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.824 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 153.66 -75.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.6 tp -117.04 -36.77 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.16 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.499 ' HE2' ' CZ ' ' A' ' 21' ' ' TYR . 2.5 mmmp? -60.32 -38.73 84.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -62.29 -13.31 27.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -92.2 -58.61 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.53 -34.95 78.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -62.36 -59.74 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.53 -49.88 74.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.436 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 82.1 t90 -47.14 -53.4 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.74 -40.31 79.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.36 -44.36 97.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -55.77 -35.97 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.436 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 26.2 mtp85 -88.24 13.13 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.0 tttt 65.61 47.32 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.3 mtm -142.51 156.82 45.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -136.29 124.29 14.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.165 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 147.76 63.66 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.71 116.95 26.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.499 ' CZ ' ' HE2' ' A' ' 5' ' ' LYS . 34.4 m-85 -102.49 144.58 30.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -143.69 115.37 8.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 55.3 mt -88.02 137.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -125.39 157.53 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.96 128.93 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -147.56 175.64 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.84 168.36 40.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -77.92 165.57 23.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -45.14 -55.38 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -68.63 -50.6 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -96.43 86.0 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -96.9 151.26 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -145.82 158.63 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -127.18 124.78 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtt -106.75 143.07 35.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 t -138.27 121.86 17.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -115.78 141.76 47.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.424 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 9.9 p -120.48 120.73 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.71 142.28 41.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.0 t -127.6 132.6 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -51.8 141.37 17.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.82 -29.64 6.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -107.48 149.41 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.27 -34.98 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -67.88 148.31 51.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.91 120.66 19.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.54 113.75 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.5 mtp -94.2 122.32 36.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.44 138.27 9.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.25 126.62 20.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -161.03 145.56 13.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 m -52.57 -26.87 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.135 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -95.15 154.78 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -83.11 -30.75 27.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -35.19 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -69.22 -52.08 31.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -66.52 -52.36 46.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -54.93 -40.92 70.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -64.25 -41.55 96.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.54 -58.51 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.67 -63.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.42 -51.88 4.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -51.07 -44.47 61.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.81 -55.0 38.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.4 t -40.71 -47.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -54.11 -39.57 66.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.563 ' CE2' HD11 ' A' ' 72' ' ' ILE . 22.1 t80 -69.76 -37.1 76.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.6 mt -59.15 -47.57 84.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.69 -42.12 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -57.82 -46.48 84.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.563 HD11 ' CE2' ' A' ' 68' ' ' TYR . 39.7 pt -75.08 1.95 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m120 66.05 42.0 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -105.79 -25.27 12.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 98.9 t -140.41 130.89 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -82.91 137.1 34.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.3 p -56.76 -26.67 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -56.85 -13.51 2.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -102.93 -35.07 8.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.463 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 98.3 t -62.89 138.81 97.24 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.572 0.701 . . . . 0.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 54.2 Cg_endo -69.7 159.79 52.15 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.36 148.29 28.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.57 108.98 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.85 -67.5 0.51 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.7 pt -102.12 142.91 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.469 ' CG2' ' HD2' ' A' ' 87' ' ' PRO . 8.2 p -168.4 137.6 1.92 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.639 0.733 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 86' ' ' VAL . 53.8 Cg_endo -69.75 110.31 2.52 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 87' ' ' PRO . 53.7 Cg_endo -69.82 155.17 66.44 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.372 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 83.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.9 m -84.12 93.05 8.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.48 -85.68 1.6 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.41 25.56 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.5 t -60.81 136.97 58.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 95' ' ' GLY . 3.5 m -94.64 117.49 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 69.7 m -63.32 171.9 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.1 t -60.92 -53.32 58.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 112.89 -144.32 17.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.2 p -76.17 105.88 7.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -105.19 138.41 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.87 -123.26 0.73 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.0 tp -83.17 -26.75 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -40.96 96.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -69.93 -28.62 65.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -64.82 -57.23 9.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.43 -58.19 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -44.16 -56.37 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.57 -54.29 45.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.551 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 84.6 t90 -47.9 -59.26 3.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.78 -52.8 55.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.14 -45.21 43.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -58.52 -28.69 65.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.551 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 25.9 mtp85 -99.58 22.81 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tptt 57.64 50.09 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.3 mtm -132.71 151.94 51.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.41 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 16.7 m -133.9 101.59 12.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.65 0.738 . . . . 0.0 111.168 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 54.1 Cg_endo -69.72 138.85 38.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.73 128.6 55.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.442 ' CZ ' HG21 ' A' ' 38' ' ' VAL . 57.5 m-85 -107.67 139.95 41.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -138.28 118.02 13.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 77.6 mt -96.74 119.96 45.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -102.39 164.72 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.78 117.4 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.35 175.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.42 -165.34 13.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -103.98 152.8 21.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -22.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -89.32 -53.91 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -103.15 95.16 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -72.25 140.87 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -134.78 154.65 51.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -131.07 123.88 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 38.4 mtt -104.94 124.93 50.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.8 t -104.95 143.23 33.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -140.68 129.03 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.442 HG21 ' CZ ' ' A' ' 21' ' ' TYR . 11.8 p -120.17 124.63 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.8 mmt85 -114.59 148.48 37.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -140.74 121.93 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -43.49 148.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.52 -43.06 2.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -97.23 157.25 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.34 -40.92 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -70.96 147.54 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -131.7 141.99 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.09 107.71 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.8 mtp -96.55 131.59 43.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.38 138.7 9.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -127.64 131.24 49.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -167.08 146.4 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.2 p -56.42 -25.6 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -110.97 162.05 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -79.62 -51.97 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -43.87 -59.11 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.59 -54.72 43.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.37 -42.94 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -60.13 -46.77 88.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.7 m -56.51 -45.28 81.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -57.54 -50.33 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.15 -61.0 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -49.42 -62.67 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -44.71 -50.75 9.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -68.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -45.58 -45.07 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 66.3 t -51.26 -43.52 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.11 -38.79 80.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.493 ' CZ ' HG23 ' A' ' 72' ' ' ILE . 34.1 t80 -64.26 -34.8 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.0 mt -60.27 -45.8 92.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -62.12 -40.31 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -61.54 -43.9 98.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.493 HG23 ' CZ ' ' A' ' 68' ' ' TYR . 40.7 pt -77.89 -0.58 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 67.31 47.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -113.49 -21.27 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.449 HG21 ' NE1' ' A' ' 11' ' ' TRP . 96.8 t -139.53 142.03 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -91.32 136.29 33.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 p -59.67 -24.88 64.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.35 -18.02 56.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -99.01 -34.21 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 98.8 t -68.48 138.92 91.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.9 Cg_endo -69.77 164.41 34.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 84' ' ' GLY . . . -78.7 149.45 32.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.96 72.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . -163.65 113.73 0.57 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.5 mt -106.94 130.19 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 111.083 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.1 m -73.33 144.43 84.2 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.633 0.73 . . . . 0.0 111.143 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 149.53 66.98 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.357 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.14 67.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -41.44 4.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.1 m -50.98 161.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -123.65 83.21 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 133.08 24.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.9 p -45.82 138.44 4.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.8 p -138.52 121.72 16.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.471 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 11.1 p -154.06 131.43 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.7 t -90.59 152.85 20.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -162.2 90.66 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 m -96.88 116.01 28.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -79.35 131.52 36.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 117.41 -171.02 13.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.532 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.3 tp -115.68 -26.66 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.382 . . . . 0.0 111.117 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -66.05 -40.27 90.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -71.27 -20.76 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.88 -60.19 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.4 tp -54.8 -48.87 72.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -52.74 -60.95 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.07 63.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.461 ' NE1' HG23 ' A' ' 75' ' ' VAL . 86.1 t90 -52.08 -49.23 63.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 m -64.5 -48.36 75.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.81 -42.92 29.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -57.73 -38.29 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.297 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -87.68 27.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tptt 53.36 39.16 29.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.448 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 32.0 mtm -120.16 156.14 31.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 40.3 m -134.64 101.54 11.82 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 111.164 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 135.96 31.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.25 128.7 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.2 m-85 -108.48 131.09 55.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -130.19 155.26 46.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 84.6 mt -129.8 139.56 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -130.92 157.49 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.55 130.6 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.22 171.38 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.63 -166.83 34.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -107.53 157.99 17.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -42.6 -46.67 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -63.22 -51.49 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.91 80.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -67.52 132.42 47.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -137.02 155.9 49.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -130.22 134.65 47.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.7 mtt -117.7 118.67 32.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -108.42 141.33 40.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.4 mp0 -136.53 131.93 34.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.5 p -117.24 131.34 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -119.69 148.42 43.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 73.3 t -137.38 116.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -43.83 134.9 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.41 -40.26 2.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -98.14 159.17 15.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -97.41 -42.13 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -71.83 148.51 46.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -130.28 133.69 46.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.07 100.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.8 ptm -105.91 123.87 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.52 134.13 6.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -111.91 137.21 50.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.2 m -162.5 138.78 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.9 p -46.46 -38.94 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 6.5 p-10 -108.95 153.05 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.485 ' O ' ' NE2' ' A' ' 58' ' ' GLN . 4.2 mtmp? -64.33 -49.7 70.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -38.35 -65.53 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -56.56 -50.8 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.79 -57.13 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 54' ' ' LYS . 2.8 mp0 -54.85 -38.79 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -67.08 -35.3 79.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -72.88 -38.05 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.92 -56.42 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.32 -56.79 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -51.49 -47.98 63.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.86 -59.76 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -55.55 -45.54 77.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 65.0 t -47.13 -39.16 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -64.87 -34.08 77.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.69 -31.98 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 39.1 mt -67.84 -41.45 82.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 67.5 t -69.43 -33.86 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -66.28 -32.59 74.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 26.3 pt -89.55 9.28 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 61.58 43.76 9.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -108.21 -31.6 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.461 HG23 ' NE1' ' A' ' 11' ' ' TRP . 64.2 t -136.6 141.81 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.65 133.53 35.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.3 t -52.31 -33.12 40.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.35 -19.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.36 -37.55 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 24.4 t -66.3 136.92 95.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.723 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.8 149.03 66.1 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.47 143.01 28.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.03 109.78 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.23 103.09 2.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.432 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.0 mp -80.79 143.11 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.894 0.378 . . . . 0.0 111.149 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.47 ' CG2' ' HD2' ' A' ' 87' ' ' PRO . 4.4 p -174.97 138.78 0.6 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.59 0.709 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.47 ' HD2' ' CG2' ' A' ' 86' ' ' VAL . 53.7 Cg_endo -69.8 110.37 2.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 155.1 66.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 173.03 11.54 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.377 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.6 t -108.76 -49.66 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.52 153.26 19.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 134.19 27.4 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.0 p -113.64 30.71 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.3 m -78.46 95.46 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.5 m -70.13 84.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.7 t -46.73 106.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -52.39 118.26 7.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.9 m -84.74 -53.82 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 55.45 53.77 9.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.15 163.03 12.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.53 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.461 ' CD1' HG21 ' A' ' 66' ' ' VAL . 5.3 tp -74.66 -11.87 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 111.1 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -58.33 3.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -54.14 -30.42 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 8.5 t80 -63.9 -56.53 14.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.4 tp -56.18 -54.45 45.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -49.35 -49.28 45.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.96 -49.76 73.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.525 ' CH2' HD23 ' A' ' 69' ' ' LEU . 86.8 t90 -53.84 -46.43 71.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 m -77.33 -11.34 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.47 -28.75 31.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.44 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -81.86 -26.76 33.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.415 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 8.0 mtp-105 -89.4 16.1 8.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? 61.95 47.78 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.458 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 49.6 mtm -131.62 154.24 49.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 m -132.84 101.68 13.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.62 35.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.59 133.36 54.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 65.9 m-85 -107.61 136.82 46.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -145.5 119.48 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.429 ' CG2' ' HB3' ' A' ' 34' ' ' PHE . 5.4 mp -103.81 126.75 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -102.55 164.49 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.21 126.28 52.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.6 m -144.76 175.07 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.0 178.9 29.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -86.26 165.64 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -10.94 6.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 4.2 t-20 -94.44 -51.63 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -111.97 96.34 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' NE2' ' CZ ' ' A' ' 34' ' ' PHE . 15.1 tt0 -72.94 141.28 47.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.2 mtmm -130.86 155.69 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.429 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 47.9 m-85 -130.95 126.45 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtt -111.72 111.47 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -99.56 135.63 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.71 133.61 43.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 p -118.14 117.59 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -107.75 135.66 48.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.458 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 99.2 t -122.39 130.31 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -56.9 139.94 50.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.5 -41.98 2.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -95.53 150.92 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -91.88 -30.04 16.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.5 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 13.1 t80 -74.27 144.85 44.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.64 112.19 10.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.21 114.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -107.57 135.97 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.57 146.26 15.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -132.54 140.12 48.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.7 m -169.26 151.98 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.6 p -63.86 -7.64 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.463 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 0.9 OUTLIER -138.08 158.08 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' LYS . 65.9 mttt -72.13 -57.08 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' LYS . 15.8 mtpt -35.74 -48.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' SER . 2.7 m-20 -71.96 -59.08 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.41 -32.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -66.73 -41.62 87.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' ASP . 17.2 t -66.53 -37.47 85.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.57 -46.6 82.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.41 ' O ' ' CG2' ' A' ' 66' ' ' VAL . . . -62.31 -34.59 76.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -72.57 -44.31 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.447 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 38.9 t70 -55.0 -51.59 65.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -61.29 -49.82 75.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.461 HG21 ' CD1' ' A' ' 4' ' ' ILE . 76.2 t -49.69 -58.57 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -53.01 -35.24 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.5 ' CE2' ' HB3' ' A' ' 45' ' ' TYR . 22.1 t80 -68.61 -37.63 79.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.525 HD23 ' CH2' ' A' ' 11' ' ' TRP . 72.4 mt -60.0 -41.44 92.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.8 t -65.93 -42.0 91.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -57.75 -43.3 85.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 30.9 pt -79.82 7.37 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.03 44.61 10.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -110.49 -24.1 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.458 HG22 ' NE1' ' A' ' 11' ' ' TRP . 90.3 t -137.05 141.02 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -92.9 135.59 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -59.06 -30.72 68.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.63 -23.2 16.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -92.06 -38.19 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 84.3 t -63.13 138.69 97.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.71 169.19 19.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.78 167.29 11.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -96.91 108.61 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -129.17 43.63 1.29 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.3 pt -85.37 147.14 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.6 m -96.59 142.91 25.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.608 0.718 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.02 66.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.93 65.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 90' ' ' SER . 53.8 Cg_endo -69.77 -7.06 20.1 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' PRO . 41.8 m -38.2 157.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.45 76.09 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 159.51 53.12 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.0 p -129.62 -38.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.1 p -47.93 -47.72 32.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.9 t -160.96 131.48 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 88.2 p -94.35 128.85 41.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -142.72 74.21 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.9 t 59.65 44.75 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -88.12 86.98 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.97 -77.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 tp -115.84 -36.18 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 111.103 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -52.35 -35.61 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -68.81 -24.76 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -76.7 -57.96 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.51 -47.83 78.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -57.26 -39.11 74.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.67 -50.77 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.405 ' NE1' HG22 ' A' ' 75' ' ' VAL . 85.3 t90 -60.3 -34.84 74.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 p -74.83 -39.5 61.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.86 -44.96 25.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -64.31 -38.39 90.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.725 0.298 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -82.02 13.59 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt 50.38 45.73 25.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.4 mtm -128.0 159.15 35.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.2 m -142.42 112.36 6.02 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.616 0.722 . . . . 0.0 111.121 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.82 36.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.49 125.24 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -101.45 133.68 45.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -134.22 116.31 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.9 mt -101.75 133.57 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -118.43 159.23 23.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.43 116.88 33.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.7 m -134.54 170.41 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.07 158.83 34.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -65.27 153.86 39.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HD3' ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -49.62 -32.79 13.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.463 ' N ' ' HD3' ' A' ' 29' ' ' LYS . 25.3 m-20 -70.86 -49.98 40.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -105.16 87.16 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -65.85 134.35 52.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -140.58 147.87 40.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 52' ' ' THR . 22.6 m-85 -123.68 145.96 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 77.6 mtp -126.46 114.14 17.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 t -101.65 146.71 27.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -141.96 120.32 12.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.4 p -106.61 127.1 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -121.43 132.98 55.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.5 t -123.6 128.78 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -50.77 154.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.85 -40.08 2.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -100.09 140.92 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.02 -31.89 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -74.81 146.36 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.54 121.21 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.45 133.61 3.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 ptp -118.6 129.7 55.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 50' ' ' ASN . . . -148.12 132.87 4.38 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 1.5 m-20 -130.6 123.75 30.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 t -172.18 129.01 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.431 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 9.9 t -47.11 -20.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.17 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -95.57 129.86 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -65.14 -47.3 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -51.69 -55.68 18.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.62 -54.73 38.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.25 -54.5 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -57.27 -52.0 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -52.3 -45.7 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -61.44 -46.96 87.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.89 -58.85 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.27 -59.25 5.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -47.55 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -41.85 66.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -68.34 -47.25 67.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 50.0 t -47.13 -36.11 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -63.98 -47.06 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -56.99 -36.52 70.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 58.8 mt -61.17 -45.26 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.62 -39.82 84.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -60.58 -43.71 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 35.0 pt -78.34 -1.39 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.1 t30 66.88 38.93 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -101.95 -19.93 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.405 HG22 ' NE1' ' A' ' 11' ' ' TRP . 96.7 t -144.81 130.21 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -80.14 133.81 36.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.2 p -58.0 -17.96 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.84 -18.73 57.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -98.54 -30.09 12.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 90.2 t -67.28 138.75 94.48 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.651 0.739 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.74 161.3 46.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.23 168.75 19.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.65 108.19 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.05 -63.49 0.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.8 pt -96.55 127.19 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.112 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 68.8 t -157.89 126.09 2.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.616 0.722 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 152.98 69.87 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.346 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.69 33.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 113.07 3.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 p -109.85 43.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.12 83.22 1.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.48 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -77.83 -54.14 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.5 t -90.76 141.41 28.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.4 m -54.34 174.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.5 t -90.72 -57.26 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 145.01 160.2 8.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 t -159.9 151.96 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -154.8 161.51 41.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.67 -155.33 16.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 6.6 tp -66.73 -30.55 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -62.65 -54.91 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -50.57 -35.25 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -61.52 -54.81 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.446 HD12 ' CD2' ' A' ' 65' ' ' PHE . 34.7 tp -61.79 -35.9 79.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -67.94 -60.14 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.24 -41.85 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.426 ' NE1' HG21 ' A' ' 75' ' ' VAL . 89.9 t90 -61.13 -52.56 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.21 -33.01 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.17 -41.32 99.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -63.78 -23.47 67.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -102.33 20.63 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.4 mttp 56.26 50.47 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.9 mtm -131.56 155.45 47.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.402 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 27.0 m -138.44 105.02 7.74 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.582 0.706 . . . . 0.0 111.09 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 54.3 Cg_endo -69.77 147.98 64.01 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.394 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.34 121.6 43.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -105.15 132.57 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -134.82 147.44 49.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.415 HG22 ' N ' ' A' ' 24' ' ' ARG . 97.4 mt -123.67 144.54 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' N ' HG22 ' A' ' 23' ' ' ILE . 18.8 mtp85 -132.52 155.09 49.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.79 117.22 34.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 m -129.52 169.37 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.45 -171.67 28.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -105.14 172.1 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 pttp -57.74 -40.11 78.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -69.74 -43.24 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -115.33 82.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -72.6 132.49 43.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -129.99 156.67 44.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 31.3 m-85 -131.95 118.33 19.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.5 mtp -94.97 153.72 17.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -145.97 141.38 27.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -141.27 146.65 37.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 p -128.11 134.41 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.8 mtp-105 -118.77 150.99 38.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -141.42 135.83 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -60.29 149.4 33.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.67 -36.29 3.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -99.63 156.16 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -100.23 -39.63 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.45 150.42 35.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.56 104.63 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.43 129.42 19.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.62 153.39 39.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -153.73 132.1 3.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.84 134.4 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -166.66 139.15 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -41.01 -44.39 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -100.34 161.83 13.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.422 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 20.3 mtpt -78.05 -39.82 40.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -40.52 -68.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' SER . 2.9 m-20 -62.27 -54.84 34.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.85 -34.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -75.44 -40.27 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.7 p -66.57 -38.44 87.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -59.29 -42.92 92.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.36 -63.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -48.06 -44.13 31.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.435 ' O ' ' C ' ' A' ' 64' ' ' ASP . 15.7 tpt180 -64.46 -57.5 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.4 m-20 -35.32 -65.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.446 ' CD2' HD12 ' A' ' 8' ' ' LEU . 31.8 t80 -39.93 -44.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.0 t -49.46 -49.07 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.433 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -56.45 -22.31 31.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -88.93 -27.11 21.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 mt -72.79 -30.96 64.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.33 -34.28 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' HG3' ' N ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -65.08 -34.06 77.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.448 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 30.2 pt -85.71 2.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 63.31 34.28 13.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -98.88 -28.17 13.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.426 HG21 ' NE1' ' A' ' 11' ' ' TRP . 40.0 t -135.9 137.73 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -81.69 123.02 28.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -55.22 -21.62 14.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.6 -16.49 61.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.13 -29.33 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.41 ' CG1' ' NH1' ' A' ' 63' ' ' ARG . 96.8 t -67.0 132.09 93.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 144.01 52.53 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.695 2.263 . . . . 0.0 112.377 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.61 161.51 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.49 109.92 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.1 -30.41 3.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 pt -106.89 126.93 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 111.182 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.1 m -131.77 148.46 70.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 111.184 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 162.38 42.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.637 2.225 . . . . 0.0 112.359 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 162.79 40.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' SER . 54.2 Cg_endo -69.75 -44.56 2.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' PRO . 68.6 m -35.66 126.35 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 123.04 80.07 0.49 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 90.51 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -106.19 136.08 46.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 t -48.84 126.15 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.1 m -131.43 118.58 20.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.4 m -53.94 -50.22 66.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 138.55 157.71 7.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m -157.64 118.51 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -63.59 140.46 58.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.64 -125.79 1.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.522 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.436 HD11 ' CG ' ' A' ' 81' ' ' PRO . 6.9 tp -102.28 -29.03 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' N ' HG21 ' A' ' 4' ' ' ILE . 6.3 tmtt? -61.68 -47.61 84.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -56.85 -35.14 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -58.59 -68.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.8 tp -53.74 -42.96 68.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -55.52 -53.38 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.63 -50.39 69.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' NE1' HG23 ' A' ' 75' ' ' VAL . 75.8 t90 -51.96 -41.72 62.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 m -73.92 -43.64 57.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.55 -31.09 69.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -66.87 -24.79 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 5.4 mtp-105 -106.36 31.74 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp 50.65 49.36 21.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.497 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 31.7 mtm -127.35 154.95 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.403 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 10.5 m -135.67 104.47 9.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.8 Cg_endo -69.72 135.11 29.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.323 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.43 123.23 46.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -110.09 145.01 37.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -145.6 126.65 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.1 mt -107.51 118.72 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -105.71 165.25 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.95 123.5 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.9 m -137.42 174.19 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.83 162.76 36.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.83 157.19 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -45.95 -55.88 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -58.14 -35.57 71.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -115.59 91.63 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -75.43 142.18 43.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -143.75 150.12 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -129.56 134.6 47.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtt -116.39 138.91 50.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.1 t -124.95 135.63 53.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -131.07 134.71 46.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.99 129.48 63.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -128.66 156.81 42.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 98.9 t -139.79 127.15 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -43.14 151.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.98 -43.0 3.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -93.82 152.1 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -108.91 29.12 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -114.2 151.61 32.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.78 104.93 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.88 121.26 5.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ptm -103.66 119.99 40.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.35 136.13 8.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -135.46 135.64 40.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -172.94 134.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.3 p -47.95 -25.26 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -103.07 143.91 31.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -67.54 -55.36 13.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -46.49 -48.58 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -51.99 62.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.35 -35.64 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -72.91 -39.6 66.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 50.9 p -68.81 -25.41 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -81.4 -41.9 21.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.64 -54.54 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -54.94 -46.12 74.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' ASP . 2.9 tmt_? -63.62 -57.69 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.6 OUTLIER -35.46 -50.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.41 -46.52 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 63' ' ' ARG . 91.9 t -46.31 -40.87 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -59.25 -41.52 88.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -63.15 -37.98 89.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.6 -43.11 97.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.52 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -59.63 -48.0 83.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.401 HD11 ' CG ' ' A' ' 74' ' ' GLU . 38.0 pt -71.78 -3.53 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.8 t30 71.37 44.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' CG ' HD11 ' A' ' 72' ' ' ILE . 23.0 mm-40 -111.21 -24.31 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.448 HG23 ' NE1' ' A' ' 11' ' ' TRP . 88.5 t -135.33 130.55 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -78.21 126.92 31.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.2 p -49.97 -37.0 30.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -46.62 -30.73 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -87.8 -31.13 19.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.51 128.2 93.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 111.145 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.436 ' CG ' HD11 ' A' ' 4' ' ' ILE . 54.1 Cg_endo -69.7 -173.69 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.03 132.28 56.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.56 -6.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.42 -86.13 0.32 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.4 mt -83.9 131.58 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.393 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.52 145.02 28.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.652 0.739 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.32 64.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 148.39 64.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.283 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 109.55 2.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.4 t -143.7 153.78 42.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.63 144.75 7.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 93' ' ' SER . 54.0 Cg_endo -69.8 -24.88 29.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 92' ' ' PRO . 33.5 t -35.09 -63.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.7 t -59.45 108.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.533 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' -2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' -3' ' ' GLY . 1.9 t -36.96 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.9 m -84.53 -57.17 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 125.17 151.3 7.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 95.4 p -160.65 169.66 22.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -51.21 132.82 28.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.07 150.35 20.86 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.3 tp -65.04 -33.02 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.406 ' C ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -55.92 -32.71 64.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -63.75 -14.99 57.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -91.75 -56.28 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.0 tp -57.21 -47.08 82.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -49.98 -53.67 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.09 -60.82 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.403 ' NE1' HG22 ' A' ' 75' ' ' VAL . 55.2 t90 -42.26 -40.44 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.1 m -74.36 -47.75 32.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.92 -34.74 66.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -63.17 -30.77 71.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 5.9 mtp-105 -99.07 28.33 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp 55.79 44.44 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.4 mtm -125.59 152.91 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.4 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 30.4 m -134.87 101.64 11.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.2 Cg_endo -69.76 140.3 42.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.94 152.43 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.498 ' CE2' HG21 ' A' ' 38' ' ' VAL . 61.1 m-85 -134.6 139.79 45.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 23' ' ' ILE . 24.6 tp10 -137.47 149.52 46.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' N ' ' HG3' ' A' ' 22' ' ' GLU . 67.9 mt -128.99 150.42 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -140.67 160.33 40.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.5 128.35 56.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.9 m -141.41 174.54 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.99 173.45 36.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -78.88 177.57 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -59.46 -43.75 93.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -78.59 -38.0 41.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -107.38 90.28 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -98.48 143.34 29.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -137.53 156.92 47.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -124.16 117.47 24.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 38.8 mtm -97.23 133.84 41.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.3 t -125.97 151.32 47.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -144.54 151.29 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.498 HG21 ' CE2' ' A' ' 21' ' ' TYR . 9.8 p -135.26 132.43 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -128.38 142.08 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.8 t -132.6 123.42 49.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -48.32 139.25 8.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.19 -36.37 4.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.78 162.87 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -105.07 -34.97 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -66.86 144.78 56.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' GLY . . . -131.76 101.95 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' ALA . . . -35.47 145.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.3 mtm -132.3 134.72 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.97 132.95 5.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -130.57 134.79 47.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.9 t -173.33 154.23 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.3 p -60.94 -23.53 65.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.49 ' N ' ' OD1' ' A' ' 53' ' ' ASN . 2.0 p-10 -115.6 147.15 41.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -68.55 -44.27 74.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.34 -66.59 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -60.8 -53.48 56.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.52 -42.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -70.66 -54.83 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.2 t -50.91 -41.05 58.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -61.51 -50.47 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.35 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.96 -62.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 66' ' ' VAL . 9.3 tpt180 -48.19 -58.55 4.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -38.52 -46.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -69.59 -34.19 73.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.491 ' N ' ' O ' ' A' ' 63' ' ' ARG . 96.7 t -59.83 -36.36 65.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -62.43 -44.68 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -61.73 -33.79 74.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 38.6 mt -61.8 -49.73 75.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.61 -42.72 85.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -55.9 -53.16 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.426 ' CD1' ' HG2' ' A' ' 74' ' ' GLU . 46.0 pt -67.38 -5.0 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 71.81 40.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.426 ' HG2' ' CD1' ' A' ' 72' ' ' ILE . 26.8 mm-40 -107.15 -19.44 13.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.403 HG22 ' NE1' ' A' ' 11' ' ' TRP . 92.0 t -138.44 127.67 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -77.79 126.89 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 p -49.13 -36.79 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -45.73 -34.31 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -84.97 -36.79 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -63.03 131.0 94.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 151.95 69.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.85 165.94 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.57 -9.43 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.159 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.58 -118.03 5.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.6 pt -83.22 151.04 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.475 ' CG2' ' HD2' ' A' ' 87' ' ' PRO . 15.0 p -174.21 136.89 0.63 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.153 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 86' ' ' VAL . 54.0 Cg_endo -69.73 148.76 65.99 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.267 . . . . 0.0 112.376 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.5 24.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.52 17.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.4 p -119.64 101.69 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.72 177.24 18.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -14.09 35.71 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -55.81 105.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.5 p -83.84 -175.69 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 26.5 p -122.81 174.83 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 68.4 p -68.27 158.43 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 97.94 -65.66 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.2 m -127.74 155.12 44.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.388 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -104.59 -55.05 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.0 170.8 47.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 tp -97.19 -35.57 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 111.161 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -41.68 61.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.0 -27.7 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -75.02 -60.19 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.2 tp -48.35 -52.45 21.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -51.48 -59.69 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.57 67.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.405 ' NE1' HG21 ' A' ' 75' ' ' VAL . 89.4 t90 -56.32 -53.45 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.11 -49.53 77.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.87 -29.29 61.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -66.8 -24.34 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -108.13 26.35 10.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.9 mttp 60.7 45.5 10.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.7 mtm -129.76 157.02 43.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.408 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 5.4 m -138.52 105.04 7.68 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.1 Cg_endo -69.78 137.73 36.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.38 135.34 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -119.3 134.99 54.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -131.7 126.19 33.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.4 mt -101.5 128.92 53.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 tpp85 -114.53 157.71 22.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.64 119.21 35.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 m -140.38 168.65 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.63 -164.26 13.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.532 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -98.48 165.22 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -49.53 -44.76 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -81.62 -39.39 24.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -95.15 84.04 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -79.9 135.9 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -132.57 157.21 45.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -133.76 109.91 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 mtt -97.69 101.56 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.7 t -97.9 144.01 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -144.64 132.22 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.9 p -109.47 148.51 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -140.37 143.01 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.46 118.0 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -48.32 125.06 8.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.12 -35.68 4.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -101.7 152.12 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -89.46 -46.76 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -63.45 142.82 58.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -132.04 109.54 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.01 128.63 2.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -122.72 135.56 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.34 132.62 4.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -131.81 136.66 47.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -173.77 150.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.0 p -55.71 -27.31 49.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -96.28 157.24 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -85.7 -43.36 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -57.81 -46.83 84.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.77 -47.43 78.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.14 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -65.62 -45.81 81.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 p -60.36 -37.85 82.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -66.73 -46.47 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.47 76.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.72 -65.45 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -45.2 -43.49 10.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.427 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -49.71 -58.05 6.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.97 -33.74 73.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.8 -55.0 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.9 OUTLIER -53.19 -32.0 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.73 -37.65 70.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.8 mt -56.67 -46.2 81.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.82 -42.26 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -55.15 -37.09 66.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.7 pt -88.43 4.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m120 64.18 43.42 4.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -106.94 -27.35 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.405 HG21 ' NE1' ' A' ' 11' ' ' TRP . 83.0 t -136.55 142.93 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -92.76 130.56 38.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -50.27 -38.7 42.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -47.68 -29.0 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -85.2 -31.66 23.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.465 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 88.9 t -69.37 138.56 89.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.636 0.731 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.3 Cg_endo -69.74 151.55 69.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.36 151.53 21.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -4.41 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.14 -83.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.2 pp -74.62 141.24 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.9 m -130.87 150.83 77.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 148.22 64.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.28 64.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -39.55 6.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -84.87 139.79 31.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.05 146.16 9.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.86 64.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.2 m -111.22 -45.11 3.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.3 m -114.94 162.9 16.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 9.0 m -67.23 95.22 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.1 t -50.96 173.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 66.39 87.45 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.2 t -102.24 -52.08 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -92.31 94.38 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.48 -43.62 2.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.4 tp -96.79 -21.3 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -71.65 -64.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -50.94 -17.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 9.1 t80 -76.99 -46.59 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.6 tp -76.85 -49.83 14.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -53.96 -44.66 70.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.27 -45.6 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.464 ' NE1' HG22 ' A' ' 75' ' ' VAL . 68.0 t90 -57.24 -50.0 74.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 m -64.91 -44.72 88.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.63 -42.24 58.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -61.7 -20.04 63.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -105.9 26.65 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 52.41 42.24 31.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.1 mtm -121.59 157.33 31.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.2 m -134.17 101.59 12.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 132.6 23.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.311 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.47 134.76 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -117.25 103.84 10.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.34 148.33 26.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.408 HG22 ' N ' ' A' ' 24' ' ' ARG . 84.2 mt -122.74 143.51 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' N ' HG22 ' A' ' 23' ' ' ILE . 38.4 mtp85 -131.84 163.81 27.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.9 120.14 36.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.5 m -134.83 159.65 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.64 -177.67 21.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -94.25 163.85 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -45.21 -58.0 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -67.31 -33.2 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -111.72 71.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -79.65 146.94 32.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -140.51 157.4 45.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.414 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 23.3 m-85 -125.14 108.64 11.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.0 mtp -96.91 120.81 37.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.5 t -113.9 149.34 35.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -142.95 142.94 31.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' O ' ' CB ' ' A' ' 46' ' ' ALA . 12.4 p -113.61 147.77 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.434 ' CD ' ' HB3' ' A' ' 46' ' ' ALA . 6.9 mmm180 -131.54 147.12 52.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.0 118.73 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -45.16 147.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.72 -41.57 3.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -96.13 144.82 26.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -91.12 -25.29 19.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -75.51 142.59 42.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 38' ' ' VAL . . . -132.6 103.79 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' ALA . . . -35.1 135.56 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.464 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.0 ptm -121.25 137.5 54.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -154.18 137.43 5.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -127.51 146.19 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -174.83 131.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.1 p -41.31 -31.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.11 154.88 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.414 ' HG2' ' CD2' ' A' ' 34' ' ' PHE . 2.1 mmmm -79.43 -49.14 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.444 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -48.13 -51.87 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ALA . 11.4 t70 -64.78 -58.24 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ASP . . . -35.46 -46.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.09 -58.23 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -47.89 -36.86 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.66 -33.93 73.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.36 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.34 -54.05 50.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.105 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.51 -32.94 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -67.51 -61.61 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -49.21 -22.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.14 -35.13 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.1 p30 -65.57 -34.86 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -72.2 -33.61 67.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.1 mt -62.04 -50.13 73.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.7 t -56.39 -36.64 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -62.81 -49.52 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 25.5 pt -71.14 -0.37 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 67.43 37.64 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -103.97 -23.38 13.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.464 HG22 ' NE1' ' A' ' 11' ' ' TRP . 92.8 t -137.1 138.94 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.406 ' N ' HG12 ' A' ' 75' ' ' VAL . 23.2 mttm -90.45 130.38 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.6 p -53.04 -36.61 60.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -49.76 -25.31 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.99 -24.61 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.1 t -72.7 129.95 86.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 153.56 68.5 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.57 141.62 34.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -6.49 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.64 -110.03 2.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.32 140.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.52 146.23 60.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.616 0.722 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 158.62 56.22 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.67 166.83 26.15 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.744 2.296 . . . . 0.0 112.379 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -27.36 26.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.8 p -71.22 111.72 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.1 82.57 0.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.01 3.93 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.25 . . . . 0.0 112.324 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 94' ' ' SER . 2.2 m -68.64 93.92 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' SER . 32.1 p -34.7 124.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 66.7 p -96.67 102.11 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 62.2 p -82.72 124.45 30.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 144.12 -101.03 0.25 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.3 m -160.11 155.37 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -132.39 94.24 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.98 -160.14 22.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.459 ' CB ' ' HG2' ' A' ' 63' ' ' ARG . 5.8 tp -61.7 -28.84 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.951 0.405 . . . . 0.0 111.183 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -62.47 -39.07 92.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -70.11 -28.09 65.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -72.86 -62.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.1 tp -57.42 -52.31 65.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -46.75 -62.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.35 -47.25 72.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.458 ' NE1' HG23 ' A' ' 75' ' ' VAL . 67.5 t90 -57.59 -35.66 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.6 m -73.4 -47.83 38.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.19 -43.86 88.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -55.97 -29.81 60.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.406 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 16.6 mtp85 -98.06 19.57 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 tptm 59.34 43.88 16.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 69.8 mtm -132.69 150.85 52.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -126.12 119.43 23.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.567 0.698 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.43 30.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.53 115.22 29.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -106.33 129.55 54.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.48 131.57 27.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.9 mt -107.94 148.79 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -126.24 158.72 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.17 122.42 43.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.72 175.15 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.04 179.26 34.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 29' ' ' LYS . 24.5 m120 -83.85 147.71 27.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' ASN . 25.9 ttpt -37.94 -45.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -71.42 -47.19 57.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -99.87 93.93 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 18.5 tp60 -81.04 139.67 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -135.26 157.27 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -131.84 123.23 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mtt -107.4 104.86 14.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.1 t -98.99 136.02 39.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -133.91 136.2 44.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.7 144.64 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -132.85 148.64 52.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 91.7 t -140.97 116.97 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -46.61 140.67 4.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.58 -27.5 20.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -112.13 156.14 22.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -95.76 -40.52 9.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -65.92 145.02 56.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.14 114.2 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.143 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.26 139.61 4.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -124.0 129.75 51.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.97 136.77 8.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -128.7 133.19 48.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.369 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -172.07 145.11 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.4 m -61.43 -28.35 69.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -94.09 148.1 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -74.74 -34.89 62.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -19.08 56.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -88.84 -33.62 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.35 -27.22 68.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -74.64 -53.64 8.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.7 t -53.52 -27.16 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -81.35 -33.55 32.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.42 -54.19 15.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.26 -48.8 79.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HG2' ' CB ' ' A' ' 4' ' ' ILE . 5.0 mmm180 -60.95 -20.92 62.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.475 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 40.3 t0 -77.29 -62.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -47.63 -29.15 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.418 HG21 ' CD1' ' A' ' 4' ' ' ILE . 82.7 t -60.85 -49.79 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 1.1 p30 -48.18 -32.38 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.452 ' CE1' HD11 ' A' ' 72' ' ' ILE . 34.6 t80 -79.19 -28.95 42.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 mt -68.91 -28.01 66.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.8 t -85.95 -42.14 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -60.17 -32.73 71.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.452 HD11 ' CE1' ' A' ' 68' ' ' TYR . 23.5 pt -84.04 -5.1 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.8 t30 72.7 36.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -103.76 -26.25 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.458 HG23 ' NE1' ' A' ' 11' ' ' TRP . 96.0 t -135.65 140.95 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -92.06 131.19 37.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.8 p -56.26 -23.89 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.04 -24.76 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -93.36 -36.16 12.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.458 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 97.4 t -62.87 138.66 97.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.458 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.73 156.44 63.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 169.02 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -97.87 108.79 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -110.63 -22.54 6.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 pt -104.48 138.29 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 m -112.0 152.86 44.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 111.158 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 168.77 20.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.744 2.296 . . . . 0.0 112.373 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 152.52 69.0 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -1.06 7.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -49.57 -53.37 24.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.59 -179.16 2.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 129.53 17.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.5 p -83.66 -49.45 9.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t -96.53 153.93 17.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.806 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 24.7 t -103.86 98.13 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.5 m -81.9 -57.51 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -71.74 143.87 35.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.433 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.9 p -42.34 147.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -96.33 136.1 37.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.83 -103.74 0.35 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.3 tp -95.98 -36.23 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 111.137 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' HE2' ' CE1' ' A' ' 21' ' ' TYR . 1.8 tmtt? -47.53 -47.56 27.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -54.71 -32.75 60.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.559 ' CZ ' HG21 ' A' ' 80' ' ' VAL . 74.4 t80 -67.09 -62.08 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.1 tp -56.44 -53.68 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.78 -68.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.43 -39.56 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.42 ' CH2' HD21 ' A' ' 69' ' ' LEU . 88.0 t90 -62.18 -48.37 80.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 m -64.59 -45.72 85.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.7 -41.9 43.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -60.59 -38.52 84.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 24.0 mtp85 -87.93 18.62 4.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.403 ' HD3' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 57.32 45.78 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 23.7 mtm -127.17 154.89 44.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.408 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 5.4 m -132.87 101.6 13.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.694 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.5 Cg_endo -69.76 133.94 26.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.17 139.54 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.46 ' CE1' ' HE2' ' A' ' 5' ' ' LYS . 83.5 m-85 -121.2 122.5 40.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -119.02 130.52 55.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 42.1 mt -110.08 135.75 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -121.57 161.18 22.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.4 ' C ' HG13 ' A' ' 26' ' ' VAL . . . -113.93 122.57 47.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.4 HG13 ' C ' ' A' ' 25' ' ' ALA . 28.4 m -142.33 174.53 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.06 164.36 28.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -67.82 160.89 27.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -46.05 -45.46 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -77.86 -46.46 21.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -93.48 90.54 6.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -91.78 140.67 29.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -135.49 158.82 43.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -126.64 115.64 19.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.9 mtt -99.25 110.82 23.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -103.27 140.94 36.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -137.06 146.42 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.4 p -127.41 146.35 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -139.1 147.83 42.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 74.1 t -139.63 123.25 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -45.44 136.08 5.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.76 -43.19 1.73 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -94.52 147.21 23.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -94.25 -37.46 11.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.27 138.1 55.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.76 134.56 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.54 133.83 38.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mmt -108.15 131.75 54.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.04 133.02 6.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -138.05 122.26 18.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -164.25 145.97 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -56.19 -32.06 64.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -106.76 157.57 17.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.1 mtpt -70.21 -49.76 46.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -42.99 -60.94 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.69 -52.91 63.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.68 -56.58 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.98 -44.68 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.5 m -60.99 -42.4 98.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -59.7 -53.81 53.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.78 -58.95 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.32 -55.97 26.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -48.56 -29.71 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 15.2 t70 -70.93 -65.93 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -45.19 -37.12 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.0 t -54.35 -41.01 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.9 OUTLIER -63.98 -39.32 93.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.476 ' CE2' HD11 ' A' ' 72' ' ' ILE . 30.6 t80 -63.1 -43.76 97.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 HD21 ' CH2' ' A' ' 11' ' ' TRP . 56.2 mt -57.52 -51.51 69.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.1 t -53.06 -45.19 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.1 mmt-85 -58.03 -51.86 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.476 HD11 ' CE2' ' A' ' 68' ' ' TYR . 20.3 pt -69.55 -1.96 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 69.6 33.91 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' CA ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -93.14 -26.6 17.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.418 HG22 ' NE1' ' A' ' 11' ' ' TRP . 67.5 t -146.54 132.24 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.62 149.67 26.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 p -70.61 -26.85 63.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -54.45 -20.43 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -97.21 -29.45 13.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.559 HG21 ' CZ ' ' A' ' 7' ' ' PHE . 95.6 t -64.38 138.81 97.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.76 145.3 56.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.85 134.79 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.9 -6.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.3 -81.52 0.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.9 pt -85.24 154.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.59 81.05 39.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 111.117 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 149.82 67.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.97 22.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.383 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -26.21 28.08 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.1 p -49.29 177.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 170.28 -159.71 32.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.63 3.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.752 2.301 . . . . 0.0 112.319 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.0 m -152.06 164.68 36.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.9 p -64.18 107.54 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 79.3 p -88.53 -44.93 10.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.7 m -72.15 82.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -141.6 165.53 26.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m -64.45 -45.58 86.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -117.31 106.59 13.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -114.31 -168.41 16.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.2 tp -119.63 -30.96 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 111.139 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -64.19 -39.33 93.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.62 -22.49 56.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -81.21 -63.17 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 tp -50.49 -36.89 35.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -64.26 -49.05 73.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.7 92.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -71.36 -38.33 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 1.7 p -66.31 -41.51 89.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.437 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -53.72 -41.44 65.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -55.45 -33.96 64.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -96.45 7.4 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? 59.59 50.73 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.4 mtm -130.29 162.84 28.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.6 m -139.3 115.45 8.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.551 0.691 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.8 24.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.69 119.66 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -105.89 115.95 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -135.27 127.66 30.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.6 mp -104.81 132.72 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -104.86 160.39 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.61 121.37 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.53 172.63 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.23 172.19 33.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -74.59 160.06 31.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -52.53 -37.94 58.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -73.57 -49.34 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -102.19 95.88 6.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.54 142.56 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.01 157.03 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -126.24 123.25 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.3 mtp -105.78 107.76 18.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 t -98.3 127.34 44.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -133.68 124.99 27.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.7 p -106.2 132.94 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -118.33 141.28 48.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -131.97 119.37 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.22 139.79 10.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.9 -37.81 3.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.534 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -102.21 145.94 28.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -84.61 -40.62 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.88 148.72 49.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.45 119.23 18.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.54 118.73 5.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 ptm -111.35 140.43 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -146.42 136.93 6.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.8 133.97 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.0 m -165.0 171.03 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.41 -27.76 37.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -119.68 157.55 28.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -69.57 -42.99 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.43 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -43.67 -60.8 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.07 -54.51 32.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.31 -42.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -61.07 -47.37 86.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -59.13 -43.62 92.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -58.75 -48.78 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.22 -64.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -47.21 -51.13 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -54.98 -40.47 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.494 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 5.9 t0 -59.58 -58.27 9.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -52.77 -42.35 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.9 t -48.67 -52.82 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.7 OUTLIER -58.01 -43.69 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.489 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 37.7 t80 -56.72 -33.53 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.8 mt -69.67 -43.55 72.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.15 -33.33 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -66.23 -41.39 90.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.457 HG13 ' CG ' ' A' ' 74' ' ' GLU . 12.3 pt -84.38 15.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 73' ' ' ASN . 0.5 OUTLIER 55.97 40.29 30.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.457 ' CG ' HG13 ' A' ' 72' ' ' ILE . 6.0 mm-40 -105.13 -23.27 12.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.7 t -137.17 140.85 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -92.96 128.09 38.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.3 p -51.43 -31.25 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -51.72 -28.54 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -91.12 -26.46 19.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.472 ' CG1' ' HD2' ' A' ' 81' ' ' PRO . 84.9 t -69.81 138.67 88.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 80' ' ' VAL . 54.1 Cg_endo -69.73 169.13 19.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.39 136.3 35.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -98.09 110.24 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.53 -65.32 0.45 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 86' ' ' VAL . 3.9 mp -73.95 139.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.462 ' CG2' ' HD2' ' A' ' 87' ' ' PRO . 4.6 p -171.55 138.69 1.1 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.462 ' HD2' ' CG2' ' A' ' 86' ' ' VAL . 53.5 Cg_endo -69.78 154.47 67.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 144.12 52.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 163.29 38.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.5 p -174.76 159.95 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.72 151.06 6.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 102.08 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.7 m -80.39 161.96 24.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 t -37.87 -45.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 59.9 p -81.0 139.21 35.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 65.1 p -139.65 131.18 27.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -103.31 -141.98 11.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 2' ' ' SER . 70.6 m -55.9 112.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.825 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 1' ' ' SER . 1.2 t -35.84 141.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.41 147.22 12.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.8 tp -90.78 -35.84 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -58.45 7.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -46.64 -36.69 7.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -65.52 -67.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.1 tp -47.27 -48.08 24.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -51.61 -54.03 32.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.09 75.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.457 ' NE1' HG22 ' A' ' 75' ' ' VAL . 90.3 t90 -53.74 -42.41 68.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -79.47 -23.7 42.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.24 -22.06 76.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -90.82 -32.29 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.8 mtt-85 -85.53 26.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.74 47.01 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.5 mtm -133.53 157.45 45.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 m -134.73 110.86 11.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 147.99 63.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.87 125.89 42.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -109.79 144.08 38.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -139.93 120.1 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -99.23 134.66 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -120.97 166.67 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.54 117.81 31.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.0 m -135.48 172.04 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.32 -164.51 20.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -104.89 168.14 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -50.96 -53.9 28.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -64.95 -48.45 74.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -99.75 92.46 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -89.45 135.64 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -134.55 164.88 26.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.31 139.6 45.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.2 mtp -115.72 116.98 29.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.7 t -109.95 123.94 50.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -123.36 129.36 51.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.1 p -106.46 136.31 41.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -127.49 144.91 51.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.8 t -136.03 121.88 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -48.37 153.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.3 -45.56 2.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.442 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -90.51 158.37 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -98.62 -38.37 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -63.69 153.26 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.73 114.55 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.49 123.72 31.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 mtt -110.28 131.3 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.12 152.63 20.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -144.85 133.3 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.459 ' HB2' ' CA ' ' A' ' 57' ' ' ALA . 3.1 m -169.62 136.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.7 p -49.63 -28.1 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -114.99 142.07 47.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 55' ' ' LYS . 51.9 mttt -56.29 -58.32 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 54' ' ' LYS . 15.5 tptp -34.31 -61.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.94 -55.28 36.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.459 ' CA ' ' HB2' ' A' ' 51' ' ' SER . . . -40.69 -52.49 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -55.23 -42.7 73.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.1 m -62.81 -39.68 95.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -65.08 -49.73 68.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.64 -59.76 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 63' ' ' ARG . . . -54.95 -62.95 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' ALA . 4.5 ttp180 -35.9 -45.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -58.91 -61.48 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -51.99 -38.88 58.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 59.0 t -52.13 -44.56 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.55 -47.69 84.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -53.07 -41.1 64.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.2 mt -58.36 -53.23 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.2 t -56.38 -37.61 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -62.48 -41.99 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.434 ' CG1' ' OE2' ' A' ' 74' ' ' GLU . 26.7 pt -83.72 -0.76 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m120 72.13 39.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.434 ' OE2' ' CG1' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -103.15 -27.19 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.457 HG22 ' NE1' ' A' ' 11' ' ' TRP . 97.8 t -137.86 133.17 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -87.32 132.34 33.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.2 p -52.17 -31.86 33.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -54.41 -24.12 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.51 -35.59 15.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 95.3 t -63.44 133.0 95.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 0.0 111.152 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 147.24 62.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.8 138.75 34.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.067 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -6.64 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.069 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.29 -83.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.502 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.3 pt -76.32 153.09 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.9 m -102.65 149.43 36.74 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.632 0.729 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 148.25 64.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.635 2.224 . . . . 0.0 112.355 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 154.63 67.5 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -23.17 31.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 52.5 p -79.56 111.67 16.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.66 147.14 11.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 170.24 17.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.632 2.221 . . . . 0.0 112.332 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.4 p -86.05 166.2 16.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 p -56.88 162.51 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 52.0 p -117.05 122.01 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 17.3 t -61.75 -49.69 75.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 154.75 -149.96 21.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m -140.48 115.84 9.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -107.03 140.17 40.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.87 -159.92 33.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.4 tp -73.13 -20.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' HE3' ' CZ ' ' A' ' 21' ' ' TYR . 8.0 tptm -75.56 -55.49 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -47.91 -27.92 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -70.33 -64.25 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.07 -54.96 16.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -49.27 -59.25 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.93 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.449 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 76.0 t90 -55.27 -54.03 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' SG ' ' CB ' ' A' ' 17' ' ' MET . 1.8 t -56.84 -41.88 78.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.77 -39.11 93.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -60.25 -31.25 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.449 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 29.7 mtp180 -92.61 17.42 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp 59.85 44.02 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.405 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 71.0 mtm -129.68 163.49 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.404 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 10.8 m -139.71 108.3 7.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.57 0.7 . . . . 0.0 111.159 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.8 Cg_endo -69.77 133.41 25.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.16 141.4 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CZ ' ' HE3' ' A' ' 5' ' ' LYS . 66.8 m-85 -122.45 126.55 48.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -120.72 118.71 30.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.4 mt -101.98 123.02 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -109.84 162.75 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.26 120.76 38.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -149.0 150.36 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.24 166.66 12.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -63.51 172.5 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -76.42 -3.4 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -100.46 -53.41 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -116.26 76.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.93 154.56 29.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -129.61 158.92 37.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -133.58 111.97 11.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.9 mtp -94.92 109.82 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.3 t -102.28 121.61 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -119.96 145.52 46.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.4 p -124.14 145.42 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -133.65 146.64 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -138.07 124.29 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -49.22 142.35 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.14 -39.69 2.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -95.8 148.31 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -92.67 -34.4 13.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -67.64 147.54 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.38 114.56 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.16 135.21 17.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.2 mtp -131.29 130.42 42.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -145.14 134.97 5.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -113.69 136.3 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -166.01 140.48 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.2 p -61.06 -22.99 65.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -107.62 140.31 40.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -61.8 -51.95 66.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -50.35 -54.11 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' ALA . 24.7 t0 -57.65 -59.4 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ASP . . . -36.97 -46.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -57.29 -58.14 9.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 m -45.72 -38.58 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -69.61 -47.66 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.9 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.37 -60.67 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -48.8 -44.41 39.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.85 -55.41 20.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.13 -40.69 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.9 t -49.75 -45.67 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -55.0 -29.73 57.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -79.48 -28.28 41.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.42 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 24.0 mt -71.4 -29.01 64.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.8 t -84.7 -38.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -62.93 -35.08 78.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 37.3 pt -80.99 -5.16 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.087 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 71.68 42.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -111.0 -28.4 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.439 HG21 ' NE1' ' A' ' 11' ' ' TRP . 77.1 t -130.75 130.31 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -83.84 126.81 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t -49.52 -26.88 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -55.07 -32.57 62.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.2 -30.33 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.1 t -64.68 131.38 95.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 152.04 69.1 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.381 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.67 134.94 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -5.77 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.04 -93.77 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.8 pt -90.54 149.85 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.473 ' CG1' ' HD2' ' A' ' 87' ' ' PRO . 93.2 t -108.02 138.51 20.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 111.147 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 86' ' ' VAL . 53.7 Cg_endo -69.77 164.91 32.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.353 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 160.69 48.76 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -43.64 2.51 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.0 t -104.14 141.43 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 171.22 -163.26 36.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.16 11.82 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m 47.28 30.49 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 13.0 t -111.81 -35.56 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 52.5 p -75.58 115.35 15.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 40.8 t -145.32 107.17 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 169.48 60.86 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.2 t -145.28 145.83 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -122.69 163.73 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 105.52 -128.6 9.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.442 ' CG2' ' N ' ' A' ' 5' ' ' LYS . 8.0 tp -105.99 -51.88 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.442 ' N ' ' CG2' ' A' ' 4' ' ' ILE . 0.0 OUTLIER -36.49 -60.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -43.47 -38.7 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 4' ' ' ILE . 66.0 t80 -62.71 -66.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 tp -48.03 -54.7 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -47.58 -62.08 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.84 57.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.459 ' NE1' HG22 ' A' ' 75' ' ' VAL . 77.3 t90 -54.53 -48.66 71.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.403 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 11.8 m -63.16 -50.67 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.53 -45.96 46.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -53.95 -30.26 46.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.727 0.299 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -97.86 21.54 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.2 mttt 55.76 39.0 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.2 mtm -123.51 162.87 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 m -138.25 111.25 8.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.403 ' HD3' ' CB ' ' A' ' 12' ' ' CYS . 53.7 Cg_endo -69.78 131.82 21.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.61 124.23 39.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -110.11 126.88 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -134.58 141.38 46.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.8 mt -118.59 142.72 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -129.79 167.99 17.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.28 128.58 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.14 175.71 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.0 -161.31 30.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -107.27 171.76 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -63.87 -26.12 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -75.41 -45.85 36.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -116.03 86.95 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.94 140.16 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.03 156.12 48.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.442 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 24.0 m-85 -129.5 108.95 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.4 mtp -93.58 132.62 37.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -127.45 142.82 51.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -138.45 134.48 34.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.5 p -116.51 124.51 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -114.58 148.59 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.0 t -136.28 113.78 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -43.4 130.08 5.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.61 -43.74 1.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -94.73 151.75 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.893 0.377 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -89.25 -42.37 11.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -67.38 137.08 55.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.47 107.67 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.67 133.87 2.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.429 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -129.9 153.08 48.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -155.44 140.97 7.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -128.15 117.53 21.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 m -152.1 167.01 29.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -78.49 -35.15 46.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -93.75 143.32 26.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.442 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 76.2 mttt -66.02 -47.68 73.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -53.11 -57.32 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -55.4 -58.05 9.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.71 -54.72 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 25.7 mm-40 -54.17 -43.82 70.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.3 t -62.25 -40.69 97.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -60.81 -45.96 92.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.87 53.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.053 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.17 -48.82 80.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -31.95 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.97 -63.71 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -44.48 -34.36 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 92.7 t -55.67 -46.45 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -58.82 -36.16 74.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -67.6 -34.0 76.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.406 ' CD1' HG21 ' A' ' 75' ' ' VAL . 52.5 mt -64.65 -49.24 71.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.3 t -56.19 -42.97 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.7 mmt-85 -56.95 -52.54 64.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 26.1 pt -70.67 -0.63 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 68.08 42.28 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -106.56 -16.78 14.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.459 HG22 ' NE1' ' A' ' 11' ' ' TRP . 88.0 t -141.92 141.47 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -91.08 126.47 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 p -50.12 -32.03 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -53.23 -29.75 34.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -87.28 -36.63 17.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.82 131.45 94.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.678 0.752 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.25 19.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.01 157.09 18.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -6.75 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.32 -118.95 4.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.432 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.0 mt -76.07 142.55 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.114 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.3 t -113.33 80.82 4.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.728 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 164.75 33.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.36 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 165.76 29.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.6 18.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m -59.79 119.6 7.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 154.99 164.29 12.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 1.4 4.48 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.718 2.278 . . . . 0.0 112.362 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.8 p -58.75 166.84 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.4 t -40.96 -60.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.499 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.597 HD11 HG21 ' A' ' 66' ' ' VAL . 9.9 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.906 0.384 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -69.25 -51.14 40.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -58.29 -24.19 58.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.631 ' HZ ' HG11 ' A' ' 75' ' ' VAL . 10.0 t80 -68.5 -56.78 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.55 -51.19 70.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -56.11 -38.03 70.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.04 76.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.721 ' NE1' HG22 ' A' ' 75' ' ' VAL . 90.1 t90 -70.11 -36.38 74.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 1.3 p -76.01 -41.83 49.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.452 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -52.04 -44.44 56.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -68.07 -35.21 77.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.572 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 13.7 mtp85 -85.9 18.07 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm 49.21 49.08 20.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.8 mtm -134.4 160.06 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.6 m -142.62 118.88 6.84 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 144.13 52.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.68 117.45 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.529 ' CD2' ' OE1' ' A' ' 58' ' ' GLN . 14.6 m-85 -100.28 137.95 38.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -137.67 120.75 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mt -92.11 143.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -132.56 161.18 34.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.86 126.2 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.6 m -149.26 173.7 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.53 -156.23 19.41 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -107.69 178.52 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -67.96 -53.64 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -57.23 -47.75 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 mmt-85 -117.19 108.3 15.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -96.87 158.99 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -143.08 158.77 43.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -126.98 104.4 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.0 mtt -88.05 127.24 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.9 t -117.17 130.2 56.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -121.57 126.83 50.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.4 p -107.86 130.5 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 12.9 mtp-105 -121.72 145.15 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.6 t -133.37 115.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -45.77 139.34 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.36 -34.12 5.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -105.69 155.0 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -93.8 -42.4 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 47.1 t80 -61.89 149.41 40.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.56 123.14 24.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.0 127.43 44.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.8 ptm -109.5 130.02 55.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.27 134.09 7.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -127.38 132.33 50.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m -173.57 136.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.9 m -53.09 -29.64 31.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -101.16 151.03 22.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -72.74 -47.44 46.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -50.78 -48.28 59.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.51 -52.82 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.91 -44.14 6.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.529 ' OE1' ' CD2' ' A' ' 21' ' ' TYR . 34.5 mm-40 -61.45 -52.09 65.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.5 m -56.42 -44.44 80.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -59.06 -53.0 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.88 -52.46 6.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.26 -63.49 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.31 -39.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.05 -58.06 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -53.66 -40.22 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 4' ' ' ILE . 66.2 t -53.0 -48.92 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -56.33 -44.65 80.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.481 ' CE2' HD13 ' A' ' 72' ' ' ILE . 25.3 t80 -57.66 -43.65 85.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 72' ' ' ILE . 47.7 mt -55.64 -51.86 65.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.13 -43.54 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 4.9 mmm180 -60.94 -52.43 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.645 HD11 HD23 ' A' ' 69' ' ' LEU . 19.0 pt -67.31 -3.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.449 ' C ' ' OE1' ' A' ' 74' ' ' GLU . 2.6 m-80 71.18 35.18 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -94.72 -33.19 13.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.721 HG22 ' NE1' ' A' ' 11' ' ' TRP . 93.8 t -135.76 140.48 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -91.09 138.59 31.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.6 p -53.89 -31.56 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -47.83 -28.32 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -88.9 -31.69 18.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.668 HG13 ' HD2' ' A' ' 81' ' ' PRO . 87.1 t -65.11 138.75 97.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.668 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.883 0.373 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.511 ' HE2' ' CZ ' ' A' ' 21' ' ' TYR . 10.9 tmtt? -56.61 -51.37 68.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -56.56 -37.33 70.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.04 -59.89 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.9 -61.74 2.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -39.96 -56.18 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.59 -56.54 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.541 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 88.8 t90 -47.3 -55.89 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' SG ' ' CB ' ' A' ' 17' ' ' MET . 1.8 t -56.02 -43.93 78.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.75 -38.88 97.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -58.4 -30.3 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.304 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.541 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 6.2 mtp-105 -96.36 19.65 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 61.38 49.94 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 25.6 mtm -134.09 161.06 35.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.3 m -139.9 104.94 6.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 145.49 57.57 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.02 143.28 35.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.511 ' CZ ' ' HE2' ' A' ' 5' ' ' LYS . 65.6 m-85 -124.37 129.06 50.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -143.01 122.91 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 24' ' ' ARG . 5.3 mp -98.1 151.7 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' N ' HG22 ' A' ' 23' ' ' ILE . 24.2 ttt180 -127.92 161.11 29.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.82 122.57 46.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 m -137.25 173.99 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.49 153.64 15.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -63.31 161.82 13.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -43.65 -49.54 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -62.53 -53.04 60.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -97.09 86.98 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -91.07 141.76 28.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -141.52 162.71 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -126.16 114.67 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.9 mtp -98.43 118.6 35.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.3 t -113.05 134.95 54.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -132.13 146.19 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.81 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 7.1 p -121.14 149.37 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 13.6 mtp-105 -137.8 137.78 38.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.09 123.52 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -48.36 144.99 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.96 -41.66 2.49 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -97.14 161.3 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -102.08 -46.7 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.92 145.73 51.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -132.88 125.69 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.08 132.18 45.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.462 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -124.09 140.87 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.05 133.47 5.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.539 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -114.54 121.42 43.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -150.4 170.61 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.2 p -86.8 -23.23 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -111.26 143.66 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -55.13 -54.62 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -53.62 -55.23 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -50.16 -55.7 14.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.08 -44.78 52.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -56.9 -47.49 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -56.03 -43.65 78.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -64.11 -51.32 64.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.42 -54.77 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.21 -58.02 9.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -43.34 -57.09 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -43.38 -54.56 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.21 -50.92 69.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.6 t -42.41 -48.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -52.83 -37.96 60.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.433 ' CE1' HD13 ' A' ' 72' ' ' ILE . 28.3 t80 -72.42 -30.95 65.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 mt -71.76 -26.83 62.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.962 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 75' ' ' VAL . 87.3 t -87.35 -37.47 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -64.36 -31.8 73.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.433 HD13 ' CE1' ' A' ' 68' ' ' TYR . 16.6 pt -85.51 -0.15 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.3 t30 70.69 37.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -105.02 -23.52 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.418 ' O ' HG22 ' A' ' 70' ' ' VAL . 95.7 t -139.82 134.43 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -88.42 127.1 35.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -47.56 -37.63 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.11 -33.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -85.26 -35.54 21.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.442 HG13 ' HD2' ' A' ' 81' ' ' PRO . 87.8 t -63.15 133.12 95.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.623 0.725 . . . . 0.0 111.129 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.537 HD11 HG21 ' A' ' 66' ' ' VAL . 6.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.917 0.389 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -55.61 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -48.74 -40.49 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.49 ' CE2' HG22 ' A' ' 80' ' ' VAL . 80.7 t80 -56.79 -57.06 14.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.45 -57.3 13.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -47.55 -56.73 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.66 77.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.551 ' NE1' HG22 ' A' ' 75' ' ' VAL . 89.8 t90 -51.59 -54.15 30.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -59.75 -50.76 72.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.08 -43.91 13.67 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -63.66 -32.79 74.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mtp85 -92.42 29.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.57 40.89 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.7 mtm -124.5 155.89 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.422 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 23.2 m -134.92 101.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.169 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.5 Cg_endo -69.81 132.37 23.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.3 143.92 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -125.54 117.59 23.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -122.31 122.76 39.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.434 HD11 ' CG ' ' A' ' 58' ' ' GLN . 21.1 mt -107.75 128.14 63.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -111.04 158.94 18.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.42 130.86 52.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.625 HG23 ' HB3' ' A' ' 33' ' ' LYS . 12.2 m -143.08 174.9 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.37 151.29 27.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -76.68 160.64 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -25.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -74.97 -53.8 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -117.04 107.26 14.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? -90.03 139.74 30.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.625 ' HB3' HG23 ' A' ' 26' ' ' VAL . 28.1 tptt -145.23 155.2 43.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -125.65 137.95 53.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 73.0 mtp -116.74 113.25 22.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.4 t -105.41 127.91 53.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -123.21 136.6 54.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 p -115.57 144.67 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 14.6 mtp-105 -138.44 140.79 39.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.9 t -125.49 124.27 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -47.34 137.04 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.01 -42.82 1.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -96.29 143.56 27.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -84.76 -42.35 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -63.38 148.37 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' HB2' ' HG2' ' A' ' 39' ' ' ARG . . . -130.88 139.66 50.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.0 131.89 14.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -113.56 131.34 56.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.97 132.39 5.7 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -119.06 144.98 46.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -174.15 149.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -65.25 -32.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -110.22 127.61 55.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -46.42 -52.94 12.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -41.82 -55.27 3.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.11 -47.03 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.91 -54.34 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.434 ' CG ' HD11 ' A' ' 23' ' ' ILE . 49.2 mt-30 -48.6 -46.49 39.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 m -60.08 -44.35 94.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -59.5 -52.29 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.83 -57.7 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.22 -50.12 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -49.39 -53.6 21.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -49.32 -49.78 42.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' VAL . 48.2 t80 -56.03 -55.67 30.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 4' ' ' ILE . 99.5 t -35.81 -51.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -47.49 -47.05 27.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.58 ' CE1' HD13 ' A' ' 72' ' ' ILE . 14.7 t80 -63.59 -38.35 90.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD23 HD11 ' A' ' 72' ' ' ILE . 29.9 mt -60.14 -41.62 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.1 t -68.74 -41.32 82.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -59.85 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.58 HD13 ' CE1' ' A' ' 68' ' ' TYR . 25.2 pt -65.61 -9.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m120 74.12 42.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -107.1 -44.08 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.551 HG22 ' NE1' ' A' ' 11' ' ' TRP . 93.9 t -117.28 128.19 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -81.23 126.95 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.3 p -46.12 -35.8 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -44.64 -34.54 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.13 -37.58 18.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.659 HG13 ' HD2' ' A' ' 81' ' ' PRO . 99.3 t -64.81 138.9 97.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.659 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.58 HD11 HG21 ' A' ' 66' ' ' VAL . 3.1 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.92 0.391 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -29.44 69.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -70.73 -17.31 62.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -86.61 -61.49 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.6 tp -49.2 -49.27 43.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -51.25 -54.03 29.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -52.99 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.423 ' NE1' HG22 ' A' ' 75' ' ' VAL . 85.0 t90 -49.4 -50.81 38.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -76.91 -17.48 58.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.31 -30.4 56.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -85.45 -29.54 24.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.732 0.301 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -84.0 19.84 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm 57.18 48.04 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.424 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 54.0 mtm -132.9 159.68 39.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.9 m -136.73 105.06 9.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 126.92 13.79 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.269 . . . . 0.0 112.284 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.95 124.74 39.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -108.06 130.13 55.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -138.28 141.07 39.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.427 HD13 ' HB3' ' A' ' 54' ' ' LYS . 79.8 mt -120.28 143.22 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -124.93 167.95 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.62 125.88 49.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 33' ' ' LYS . 2.6 m -143.75 167.03 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.42 167.34 25.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.25 177.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -63.32 -43.87 96.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.55 -47.46 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -90.28 87.38 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' O ' HG23 ' A' ' 52' ' ' THR . 18.8 tp60 -86.89 141.83 28.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HB3' HG23 ' A' ' 26' ' ' VAL . 11.3 tptm -137.37 156.12 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -129.9 124.27 32.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.0 mtm -109.44 138.71 45.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -125.13 148.82 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -147.17 123.81 11.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.51 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 7.8 p -107.63 133.13 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -123.67 134.36 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.424 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 67.4 t -121.44 118.3 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -45.91 123.04 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.45 -38.33 3.07 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -99.99 157.04 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -97.25 -39.81 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -70.93 142.95 51.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -131.99 123.04 26.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.53 118.23 4.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.8 mtp -107.8 119.99 40.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.347 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -129.17 146.08 16.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -137.95 133.95 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -167.81 133.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 32' ' ' GLN . 26.8 m -40.48 -33.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -102.98 152.43 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HB3' HD13 ' A' ' 23' ' ' ILE . 69.5 mttt -68.74 -50.54 49.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' A' ' 55' ' ' LYS . 12.7 tmtt? -44.73 -63.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -54.45 29.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.49 -35.53 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -74.48 -38.68 62.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -69.09 -28.4 66.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.59 -46.88 29.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.71 -43.73 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.516 ' HB3' HG23 ' A' ' 4' ' ' ILE . . . -67.37 -31.51 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HG2' HG21 ' A' ' 4' ' ' ILE . 7.4 mmt85 -74.15 -47.9 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -51.59 -58.78 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.521 ' CE2' HD11 ' A' ' 69' ' ' LEU . 43.8 t80 -45.47 -57.32 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.58 HG21 HD11 ' A' ' 4' ' ' ILE . 31.7 t -43.53 -53.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -48.87 -38.02 21.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.575 ' CZ ' HG21 ' A' ' 72' ' ' ILE . 20.4 t80 -74.62 -38.48 62.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.686 HD13 HG21 ' A' ' 75' ' ' VAL . 37.5 mt -57.21 -40.2 76.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.95 -39.94 82.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -60.92 -47.43 86.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.575 HG21 ' CZ ' ' A' ' 68' ' ' TYR . 27.7 pt -71.13 -4.24 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 22.4 t30 69.72 43.46 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -112.67 -23.0 10.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.686 HG21 HD13 ' A' ' 69' ' ' LEU . 69.1 t -133.14 128.74 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -83.77 134.2 34.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.2 p -57.34 -22.12 40.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.85 -27.76 63.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -92.81 -35.96 13.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 81' ' ' PRO . 85.8 t -61.99 138.69 95.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 111.103 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 66' ' ' VAL . 6.6 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.885 0.374 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 21' ' ' TYR . 2.5 mmmp? -60.32 -38.73 84.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -62.29 -13.31 27.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -92.2 -58.61 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.53 -34.95 78.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -62.36 -59.74 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.53 -49.88 74.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.46 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 82.1 t90 -47.14 -53.4 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.74 -40.31 79.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.36 -44.36 97.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -55.77 -35.97 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.46 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 26.2 mtp85 -88.24 13.13 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.0 tttt 65.61 47.32 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.3 mtm -142.51 156.82 45.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -136.29 124.29 14.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.165 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 147.76 63.66 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.71 116.95 26.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.494 ' CZ ' ' HE2' ' A' ' 5' ' ' LYS . 34.4 m-85 -102.49 144.58 30.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -143.69 115.37 8.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 55.3 mt -88.02 137.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -125.39 157.53 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.96 128.93 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -147.56 175.64 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.84 168.36 40.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -77.92 165.57 23.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -45.14 -55.38 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -68.63 -50.6 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -96.43 86.0 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -96.9 151.26 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -145.82 158.63 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -127.18 124.78 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtt -106.75 143.07 35.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 t -138.27 121.86 17.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' HB1' ' A' ' 46' ' ' ALA . 21.8 tt0 -115.78 141.76 47.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 38' ' ' VAL . 9.9 p -120.48 120.73 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.71 142.28 41.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.0 t -127.6 132.6 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -51.8 141.37 17.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.82 -29.64 6.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -107.48 149.41 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.27 -34.98 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -67.88 148.31 51.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' HG2' ' A' ' 37' ' ' GLU . . . -134.91 120.66 19.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.54 113.75 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.5 mtp -94.2 122.32 36.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.44 138.27 9.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.25 126.62 20.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -161.03 145.56 13.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 m -52.57 -26.87 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.135 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -95.15 154.78 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -83.11 -30.75 27.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -35.19 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -69.22 -52.08 31.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -66.52 -52.36 46.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -54.93 -40.92 70.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -64.25 -41.55 96.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.54 -58.51 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.67 -63.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -42.42 -51.88 4.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -51.07 -44.47 61.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.81 -55.0 38.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.657 HG21 HD11 ' A' ' 4' ' ' ILE . 97.4 t -40.71 -47.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -54.11 -39.57 66.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CE2' HD13 ' A' ' 72' ' ' ILE . 22.1 t80 -69.76 -37.1 76.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.441 HD23 HD11 ' A' ' 72' ' ' ILE . 29.6 mt -59.15 -47.57 84.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 75' ' ' VAL . 85.9 t -61.69 -42.12 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -57.82 -46.48 84.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.525 HD13 ' CE2' ' A' ' 68' ' ' TYR . 39.7 pt -75.08 1.95 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m120 66.05 42.0 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -105.79 -25.27 12.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' HG22 ' A' ' 70' ' ' VAL . 98.9 t -140.41 130.89 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -82.91 137.1 34.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.3 p -56.76 -26.67 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -56.85 -13.51 2.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -102.93 -35.07 8.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 81' ' ' PRO . 98.3 t -62.89 138.81 97.24 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.572 0.701 . . . . 0.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 80' ' ' VAL . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.157 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.458 HD11 HG21 ' A' ' 66' ' ' VAL . 9.0 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -40.96 96.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -69.93 -28.62 65.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -64.82 -57.23 9.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD23 ' OH ' ' A' ' 21' ' ' TYR . 60.0 tp -60.43 -58.19 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -44.16 -56.37 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.57 -54.29 45.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 84.6 t90 -47.9 -59.26 3.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.78 -52.8 55.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.14 -45.21 43.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -58.52 -28.69 65.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 25.9 mtp85 -99.58 22.81 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tptt 57.64 50.09 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.3 mtm -132.71 151.94 51.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.43 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 16.7 m -133.9 101.59 12.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.65 0.738 . . . . 0.0 111.168 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 54.1 Cg_endo -69.72 138.85 38.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.73 128.6 55.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.473 ' OH ' HD23 ' A' ' 8' ' ' LEU . 57.5 m-85 -107.67 139.95 41.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -138.28 118.02 13.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 54' ' ' LYS . 77.6 mt -96.74 119.96 45.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -102.39 164.72 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.78 117.4 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.35 175.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.42 -165.34 13.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -103.98 152.8 21.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -22.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -89.32 -53.91 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -103.15 95.16 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -72.25 140.87 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -134.78 154.65 51.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -131.07 123.88 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 38.4 mtt -104.94 124.93 50.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.8 t -104.95 143.23 33.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -140.68 129.03 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.525 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 11.8 p -120.17 124.63 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.532 ' HD3' ' HB2' ' A' ' 46' ' ' ALA . 14.8 mmt85 -114.59 148.48 37.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -140.74 121.93 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -43.49 148.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.52 -43.06 2.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -97.23 157.25 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.34 -40.92 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -70.96 147.54 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.532 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . . . -131.7 141.99 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.09 107.71 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.8 mtp -96.55 131.59 43.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.38 138.7 9.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -127.64 131.24 49.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -167.08 146.4 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.2 p -56.42 -25.6 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -110.97 162.05 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HB3' HD13 ' A' ' 23' ' ' ILE . 34.0 mttt -79.62 -51.97 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -43.87 -59.11 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.59 -54.72 43.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.37 -42.94 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -60.13 -46.77 88.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.7 m -56.51 -45.28 81.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -57.54 -50.33 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.15 -61.0 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.804 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -49.42 -62.67 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -44.71 -50.75 9.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -68.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -45.58 -45.07 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 62' ' ' ALA . 66.3 t -51.26 -43.52 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.11 -38.79 80.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CZ ' HG21 ' A' ' 72' ' ' ILE . 34.1 t80 -64.26 -34.8 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.579 HD13 HG21 ' A' ' 75' ' ' VAL . 62.0 mt -60.27 -45.8 92.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -62.12 -40.31 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -61.54 -43.9 98.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.504 HG21 ' CZ ' ' A' ' 68' ' ' TYR . 40.7 pt -77.89 -0.58 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 67.31 47.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -113.49 -21.27 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.579 HG21 HD13 ' A' ' 69' ' ' LEU . 96.8 t -139.53 142.03 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -91.32 136.29 33.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 p -59.67 -24.88 64.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.35 -18.02 56.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -99.01 -34.21 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.673 HG13 ' HD2' ' A' ' 81' ' ' PRO . 98.8 t -68.48 138.92 91.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.673 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.67 HD11 HG21 ' A' ' 66' ' ' VAL . 9.3 tp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.903 0.382 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -66.05 -40.27 90.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -71.27 -20.76 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.88 -60.19 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.41 HD23 ' OH ' ' A' ' 21' ' ' TYR . 54.4 tp -54.8 -48.87 72.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -52.74 -60.95 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.07 63.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -52.08 -49.23 63.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 m -64.5 -48.36 75.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.81 -42.92 29.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -57.73 -38.29 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.297 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -87.68 27.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tptt 53.36 39.16 29.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.448 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 32.0 mtm -120.16 156.14 31.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.413 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 40.3 m -134.64 101.54 11.82 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 111.164 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.9 Cg_endo -69.71 135.96 31.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.25 128.7 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' OH ' HD23 ' A' ' 8' ' ' LEU . 55.2 m-85 -108.48 131.09 55.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -130.19 155.26 46.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.5 HD13 ' HG2' ' A' ' 54' ' ' LYS . 84.6 mt -129.8 139.56 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -130.92 157.49 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.55 130.6 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.22 171.38 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.63 -166.83 34.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -107.53 157.99 17.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -42.6 -46.67 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -63.22 -51.49 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.91 80.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -67.52 132.42 47.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -137.02 155.9 49.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -130.22 134.65 47.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.7 mtt -117.7 118.67 32.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -108.42 141.33 40.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.4 mp0 -136.53 131.93 34.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 47' ' ' GLY . 2.5 p -117.24 131.34 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -119.69 148.42 43.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 73.3 t -137.38 116.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -43.83 134.9 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.41 -40.26 2.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -98.14 159.17 15.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -97.41 -42.13 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -71.83 148.51 46.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -130.28 133.69 46.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.493 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -62.07 100.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.8 ptm -105.91 123.87 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.52 134.13 6.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -111.91 137.21 50.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.2 m -162.5 138.78 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.9 p -46.46 -38.94 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 6.5 p-10 -108.95 153.05 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.5 ' HG2' HD13 ' A' ' 23' ' ' ILE . 4.2 mtmp? -64.33 -49.7 70.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -38.35 -65.53 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -56.56 -50.8 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.79 -57.13 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 54' ' ' LYS . 2.8 mp0 -54.85 -38.79 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -67.08 -35.3 79.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -72.88 -38.05 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.92 -56.42 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.777 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -55.32 -56.79 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -51.49 -47.98 63.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.86 -59.76 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -55.55 -45.54 77.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 62' ' ' ALA . 65.0 t -47.13 -39.16 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -64.87 -34.08 77.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.69 -31.98 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.47 HD23 HD11 ' A' ' 72' ' ' ILE . 39.1 mt -67.84 -41.45 82.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 75' ' ' VAL . 67.5 t -69.43 -33.86 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -66.28 -32.59 74.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.47 HD11 HD23 ' A' ' 69' ' ' LEU . 26.3 pt -89.55 9.28 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 61.58 43.76 9.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -108.21 -31.6 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 70' ' ' VAL . 64.2 t -136.6 141.81 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.65 133.53 35.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.3 t -52.31 -33.12 40.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.35 -19.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.36 -37.55 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.502 HG13 ' HD2' ' A' ' 81' ' ' PRO . 24.4 t -66.3 136.92 95.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.723 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.502 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 1.08 HD11 HG21 ' A' ' 66' ' ' VAL . 5.3 tp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.896 0.379 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -58.33 3.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -54.14 -30.42 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 8.5 t80 -63.9 -56.53 14.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD11 ' CD2' ' A' ' 65' ' ' PHE . 28.4 tp -56.18 -54.45 45.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -49.35 -49.28 45.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.96 -49.76 73.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.444 ' NE1' HG22 ' A' ' 75' ' ' VAL . 86.8 t90 -53.84 -46.43 71.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 m -77.33 -11.34 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.47 -28.75 31.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.44 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -81.86 -26.76 33.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 8.0 mtp-105 -89.4 16.1 8.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? 61.95 47.78 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.458 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 49.6 mtm -131.62 154.24 49.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 m -132.84 101.68 13.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.62 35.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.59 133.36 54.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.423 ' OH ' HD23 ' A' ' 8' ' ' LEU . 65.9 m-85 -107.61 136.82 46.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -145.5 119.48 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.581 HG21 ' HG2' ' A' ' 54' ' ' LYS . 5.4 mp -103.81 126.75 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -102.55 164.49 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.21 126.28 52.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' HB2' ' A' ' 33' ' ' LYS . 28.6 m -144.76 175.07 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.0 178.9 29.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -86.26 165.64 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -10.94 6.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 4.2 t-20 -94.44 -51.63 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -111.97 96.34 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -72.94 141.28 47.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HB2' HG23 ' A' ' 26' ' ' VAL . 20.2 mtmm -130.86 155.69 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.429 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 47.9 m-85 -130.95 126.45 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtt -111.72 111.47 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -99.56 135.63 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.71 133.61 43.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 38' ' ' VAL . 10.2 p -118.14 117.59 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -107.75 135.66 48.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.458 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 99.2 t -122.39 130.31 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -56.9 139.94 50.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.5 -41.98 2.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -95.53 150.92 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -91.88 -30.04 16.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.517 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 13.1 t80 -74.27 144.85 44.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.64 112.19 10.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.21 114.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -107.57 135.97 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.57 146.26 15.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -132.54 140.12 48.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.7 m -169.26 151.98 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.6 p -63.86 -7.64 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER -138.08 158.08 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.581 ' HG2' HG21 ' A' ' 23' ' ' ILE . 65.9 mttt -72.13 -57.08 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' LYS . 15.8 mtpt -35.74 -48.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' SER . 2.7 m-20 -71.96 -59.08 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.41 -32.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -66.73 -41.62 87.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' ASP . 17.2 t -66.53 -37.47 85.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.57 -46.6 82.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.837 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -62.31 -34.59 76.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -72.57 -44.31 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.458 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 38.9 t70 -55.0 -51.59 65.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CD2' HD11 ' A' ' 8' ' ' LEU . 42.9 t80 -61.29 -49.82 75.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.08 HG21 HD11 ' A' ' 4' ' ' ILE . 76.2 t -49.69 -58.57 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -53.01 -35.24 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 45' ' ' TYR . 22.1 t80 -68.61 -37.63 79.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HB3' HG23 ' A' ' 75' ' ' VAL . 72.4 mt -60.0 -41.44 92.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.8 t -65.93 -42.0 91.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -57.75 -43.3 85.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.415 HD12 ' HG2' ' A' ' 74' ' ' GLU . 30.9 pt -79.82 7.37 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.03 44.61 10.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.415 ' HG2' HD12 ' A' ' 72' ' ' ILE . 12.5 mm-40 -110.49 -24.1 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 69' ' ' LEU . 90.3 t -137.05 141.02 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -92.9 135.59 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -59.06 -30.72 68.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.63 -23.2 16.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -92.06 -38.19 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 81' ' ' PRO . 84.3 t -63.13 138.69 97.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.744 HD11 HG21 ' A' ' 66' ' ' VAL . 2.6 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.863 0.363 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -52.35 -35.61 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -68.81 -24.76 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -76.7 -57.96 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.51 -47.83 78.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -57.26 -39.11 74.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.67 -50.77 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.503 ' NE1' HG22 ' A' ' 75' ' ' VAL . 85.3 t90 -60.3 -34.84 74.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 p -74.83 -39.5 61.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.86 -44.96 25.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -64.31 -38.39 90.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.725 0.298 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -82.02 13.59 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt 50.38 45.73 25.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.4 mtm -128.0 159.15 35.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.2 m -142.42 112.36 6.02 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.616 0.722 . . . . 0.0 111.121 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.82 36.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.49 125.24 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -101.45 133.68 45.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -134.22 116.31 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.9 mt -101.75 133.57 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -118.43 159.23 23.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.43 116.88 33.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.7 m -134.54 170.41 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.07 158.83 34.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -65.27 153.86 39.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -49.62 -32.79 13.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.473 ' N ' ' HD3' ' A' ' 29' ' ' LYS . 25.3 m-20 -70.86 -49.98 40.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -105.16 87.16 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -65.85 134.35 52.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -140.58 147.87 40.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 52' ' ' THR . 22.6 m-85 -123.68 145.96 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 77.6 mtp -126.46 114.14 17.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 t -101.65 146.71 27.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -141.96 120.32 12.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.538 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 13.4 p -106.61 127.1 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -121.43 132.98 55.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.5 t -123.6 128.78 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -50.77 154.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.85 -40.08 2.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -100.09 140.92 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.02 -31.89 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -74.81 146.36 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -134.54 121.21 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.45 133.61 3.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 ptp -118.6 129.7 55.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 50' ' ' ASN . . . -148.12 132.87 4.38 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 1.5 m-20 -130.6 123.75 30.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 t -172.18 129.01 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.655 HG23 ' OD1' ' A' ' 53' ' ' ASN . 9.9 t -47.11 -20.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.17 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' A' ' 52' ' ' THR . 5.1 m-20 -95.57 129.86 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -65.14 -47.3 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -51.69 -55.68 18.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.62 -54.73 38.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.25 -54.5 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -57.27 -52.0 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -52.3 -45.7 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -61.44 -46.96 87.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.89 -58.85 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -55.27 -59.25 5.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -47.55 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -41.85 66.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -68.34 -47.25 67.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.744 HG21 HD11 ' A' ' 4' ' ' ILE . 50.0 t -47.13 -36.11 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -63.98 -47.06 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -56.99 -36.52 70.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.472 HD23 HD11 ' A' ' 72' ' ' ILE . 58.8 mt -61.17 -45.26 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.62 -39.82 84.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -60.58 -43.71 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.472 HD11 HD23 ' A' ' 69' ' ' LEU . 35.0 pt -78.34 -1.39 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.1 t30 66.88 38.93 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -101.95 -19.93 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.503 HG22 ' NE1' ' A' ' 11' ' ' TRP . 96.7 t -144.81 130.21 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -80.14 133.81 36.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.2 p -58.0 -17.96 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.84 -18.73 57.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -98.54 -30.09 12.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 81' ' ' PRO . 90.2 t -67.28 138.75 94.48 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.651 0.739 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.898 HD11 HG21 ' A' ' 66' ' ' VAL . 6.6 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.866 0.365 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -62.65 -54.91 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -50.57 -35.25 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -61.52 -54.81 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.51 HD23 ' OH ' ' A' ' 21' ' ' TYR . 34.7 tp -61.79 -35.9 79.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -67.94 -60.14 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.24 -41.85 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -61.13 -52.56 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.21 -33.01 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.17 -41.32 99.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -63.78 -23.47 67.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -102.33 20.63 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.4 mttp 56.26 50.47 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.9 mtm -131.56 155.45 47.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 27.0 m -138.44 105.02 7.74 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.582 0.706 . . . . 0.0 111.09 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 54.3 Cg_endo -69.77 147.98 64.01 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.394 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.34 121.6 43.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.51 ' OH ' HD23 ' A' ' 8' ' ' LEU . 21.7 m-85 -105.15 132.57 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -134.82 147.44 49.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.449 HD13 ' HE2' ' A' ' 54' ' ' LYS . 97.4 mt -123.67 144.54 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -132.52 155.09 49.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.79 117.22 34.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 m -129.52 169.37 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.45 -171.67 28.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -105.14 172.1 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 pttp -57.74 -40.11 78.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -69.74 -43.24 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -115.33 82.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -72.6 132.49 43.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -129.99 156.67 44.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.445 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 31.3 m-85 -131.95 118.33 19.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.5 mtp -94.97 153.72 17.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -145.97 141.38 27.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -141.27 146.65 37.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 p -128.11 134.41 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.8 mtp-105 -118.77 150.99 38.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -141.42 135.83 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -60.29 149.4 33.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.67 -36.29 3.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -99.63 156.16 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -100.23 -39.63 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.45 150.42 35.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.56 104.63 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.43 129.42 19.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.62 153.39 39.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -153.73 132.1 3.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.84 134.4 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -166.66 139.15 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -41.01 -44.39 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -100.34 161.83 13.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HE2' HD13 ' A' ' 23' ' ' ILE . 20.3 mtpt -78.05 -39.82 40.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -40.52 -68.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' SER . 2.9 m-20 -62.27 -54.84 34.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.85 -34.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -75.44 -40.27 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.7 p -66.57 -38.44 87.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -59.29 -42.92 92.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.36 -63.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -48.06 -44.13 31.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.46 HH12 HG12 ' A' ' 80' ' ' VAL . 15.7 tpt180 -64.46 -57.5 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.4 m-20 -35.32 -65.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CD2' HD11 ' A' ' 8' ' ' LEU . 31.8 t80 -39.93 -44.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.898 HG21 HD11 ' A' ' 4' ' ' ILE . 23.0 t -49.46 -49.07 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.433 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -56.45 -22.31 31.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -88.93 -27.11 21.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD13 HG21 ' A' ' 75' ' ' VAL . 28.6 mt -72.79 -30.96 64.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.33 -34.28 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -65.08 -34.06 77.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.434 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 30.2 pt -85.71 2.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 m120 63.31 34.28 13.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' HG3' HD12 ' A' ' 72' ' ' ILE . 58.8 mm-40 -98.88 -28.17 13.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.501 HG21 HD13 ' A' ' 69' ' ' LEU . 40.0 t -135.9 137.73 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -81.69 123.02 28.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -55.22 -21.62 14.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.6 -16.49 61.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.13 -29.33 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG12 HH12 ' A' ' 63' ' ' ARG . 96.8 t -67.0 132.09 93.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.406 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 C-N-CA 122.695 2.263 . . . . 0.0 112.377 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.542 HG21 ' O ' ' A' ' 59' ' ' SER . 6.9 tp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.881 0.372 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -61.68 -47.61 84.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -56.85 -35.14 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -58.59 -68.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.669 HD23 ' OH ' ' A' ' 21' ' ' TYR . 53.8 tp -53.74 -42.96 68.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -55.52 -53.38 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.63 -50.39 69.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.448 ' NE1' HG22 ' A' ' 75' ' ' VAL . 75.8 t90 -51.96 -41.72 62.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 m -73.92 -43.64 57.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.55 -31.09 69.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -66.87 -24.79 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 5.4 mtp-105 -106.36 31.74 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp 50.65 49.36 21.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.497 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 31.7 mtm -127.35 154.95 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 10.5 m -135.67 104.47 9.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.8 Cg_endo -69.72 135.11 29.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.323 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.43 123.23 46.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.669 ' OH ' HD23 ' A' ' 8' ' ' LEU . 94.7 m-85 -110.09 145.01 37.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -145.6 126.65 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.1 mt -107.51 118.72 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -105.71 165.25 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.95 123.5 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.9 m -137.42 174.19 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.83 162.76 36.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.83 157.19 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -45.95 -55.88 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -58.14 -35.57 71.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -115.59 91.63 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -75.43 142.18 43.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -143.75 150.12 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -129.56 134.6 47.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtt -116.39 138.91 50.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 61' ' ' ALA . 8.1 t -124.95 135.63 53.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -131.07 134.71 46.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.99 129.48 63.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -128.66 156.81 42.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 98.9 t -139.79 127.15 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -43.14 151.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.98 -43.0 3.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -93.82 152.1 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -108.91 29.12 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -114.2 151.61 32.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.78 104.93 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.88 121.26 5.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ptm -103.66 119.99 40.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.35 136.13 8.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -135.46 135.64 40.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -172.94 134.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.3 p -47.95 -25.26 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -103.07 143.91 31.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -67.54 -55.36 13.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -46.49 -48.58 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -51.99 62.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.35 -35.64 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -72.91 -39.6 66.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.542 ' O ' HG21 ' A' ' 4' ' ' ILE . 50.9 p -68.81 -25.41 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -81.4 -41.9 21.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.457 ' HB2' ' HB3' ' A' ' 36' ' ' CYS . . . -61.64 -54.54 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -54.94 -46.12 74.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' ASP . 2.9 tmt_? -63.62 -57.69 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.6 OUTLIER -35.46 -50.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.41 -46.52 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 62' ' ' ALA . 91.9 t -46.31 -40.87 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -59.25 -41.52 88.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -63.15 -37.98 89.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.437 ' HB3' HG23 ' A' ' 75' ' ' VAL . 49.9 mt -60.6 -43.11 97.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.52 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -59.63 -48.0 83.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.0 pt -71.78 -3.53 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.8 t30 71.37 44.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -111.21 -24.31 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.448 HG22 ' NE1' ' A' ' 11' ' ' TRP . 88.5 t -135.33 130.55 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -78.21 126.92 31.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.2 p -49.97 -37.0 30.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -46.62 -30.73 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -87.8 -31.13 19.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.443 HG22 ' CG1' ' A' ' 66' ' ' VAL . 53.8 t -64.51 128.2 93.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.405 ' HG2' HD13 ' A' ' 4' ' ' ILE . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.405 HD11 HG21 ' A' ' 66' ' ' VAL . 4.3 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -55.92 -32.71 64.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -63.75 -14.99 57.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -91.75 -56.28 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.0 tp -57.21 -47.08 82.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -49.98 -53.67 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.09 -60.82 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.455 ' NE1' HG22 ' A' ' 75' ' ' VAL . 55.2 t90 -42.26 -40.44 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.1 m -74.36 -47.75 32.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.92 -34.74 66.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -63.17 -30.77 71.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 5.9 mtp-105 -99.07 28.33 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp 55.79 44.44 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.4 mtm -125.59 152.91 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 30.4 m -134.87 101.64 11.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.2 Cg_endo -69.76 140.3 42.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.94 152.43 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -134.6 139.79 45.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -137.47 149.52 46.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.9 mt -128.99 150.42 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -140.67 160.33 40.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.5 128.35 56.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.498 HG23 ' HB3' ' A' ' 33' ' ' LYS . 2.9 m -141.41 174.54 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.99 173.45 36.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -78.88 177.57 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -59.46 -43.75 93.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -78.59 -38.0 41.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -107.38 90.28 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -98.48 143.34 29.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.498 ' HB3' HG23 ' A' ' 26' ' ' VAL . 5.3 tppt? -137.53 156.92 47.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -124.16 117.47 24.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 38.8 mtm -97.23 133.84 41.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.3 t -125.97 151.32 47.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -144.54 151.29 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.26 132.43 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -128.38 142.08 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.8 t -132.6 123.42 49.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -48.32 139.25 8.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.19 -36.37 4.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.78 162.87 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -105.07 -34.97 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -66.86 144.78 56.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' GLY . . . -131.76 101.95 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' ALA . . . -35.47 145.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.3 mtm -132.3 134.72 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.97 132.95 5.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -130.57 134.79 47.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.9 t -173.33 154.23 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.3 p -60.94 -23.53 65.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 2.0 p-10 -115.6 147.15 41.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -68.55 -44.27 74.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.34 -66.59 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -60.8 -53.48 56.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.52 -42.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -70.66 -54.83 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.2 t -50.91 -41.05 58.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -61.51 -50.47 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.35 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -44.96 -62.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 66' ' ' VAL . 9.3 tpt180 -48.19 -58.55 4.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -38.52 -46.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -69.59 -34.19 73.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 62' ' ' ALA . 96.7 t -59.83 -36.36 65.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -62.43 -44.68 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -61.73 -33.79 74.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.545 HD13 HG21 ' A' ' 75' ' ' VAL . 38.6 mt -61.8 -49.73 75.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.61 -42.72 85.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -55.9 -53.16 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.465 HD12 ' HG2' ' A' ' 74' ' ' GLU . 46.0 pt -67.38 -5.0 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 71.81 40.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.465 ' HG2' HD12 ' A' ' 72' ' ' ILE . 26.8 mm-40 -107.15 -19.44 13.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.545 HG21 HD13 ' A' ' 69' ' ' LEU . 92.0 t -138.44 127.67 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -77.79 126.89 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 p -49.13 -36.79 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -45.73 -34.31 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -84.97 -36.79 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -63.03 131.0 94.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.856 HD11 HG21 ' A' ' 66' ' ' VAL . 1.8 tp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.898 0.38 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -41.68 61.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.0 -27.7 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -75.02 -60.19 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.645 HD23 ' OH ' ' A' ' 21' ' ' TYR . 56.2 tp -48.35 -52.45 21.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -51.48 -59.69 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.57 67.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.42 ' NE1' HG22 ' A' ' 75' ' ' VAL . 89.4 t90 -56.32 -53.45 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.11 -49.53 77.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.87 -29.29 61.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -66.8 -24.34 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -108.13 26.35 10.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.9 mttp 60.7 45.5 10.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.7 mtm -129.76 157.02 43.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.423 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 5.4 m -138.52 105.04 7.68 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.1 Cg_endo -69.78 137.73 36.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.38 135.34 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.645 ' OH ' HD23 ' A' ' 8' ' ' LEU . 55.9 m-85 -119.3 134.99 54.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -131.7 126.19 33.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.4 mt -101.5 128.92 53.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 tpp85 -114.53 157.71 22.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.64 119.21 35.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 m -140.38 168.65 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.63 -164.26 13.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.532 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -98.48 165.22 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -49.53 -44.76 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -81.62 -39.39 24.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -95.15 84.04 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -79.9 135.9 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -132.57 157.21 45.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -133.76 109.91 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 mtt -97.69 101.56 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.7 t -97.9 144.01 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -144.64 132.22 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.519 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 7.9 p -109.47 148.51 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -140.37 143.01 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.46 118.0 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -48.32 125.06 8.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.12 -35.68 4.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -101.7 152.12 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -89.46 -46.76 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -63.45 142.82 58.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -132.04 109.54 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.01 128.63 2.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -122.72 135.56 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.34 132.62 4.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -131.81 136.66 47.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -173.77 150.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.0 p -55.71 -27.31 49.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -96.28 157.24 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -85.7 -43.36 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -57.81 -46.83 84.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.77 -47.43 78.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.14 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -65.62 -45.81 81.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 p -60.36 -37.85 82.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -66.73 -46.47 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.47 76.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -63.72 -65.45 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -45.2 -43.49 10.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.427 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -49.71 -58.05 6.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.97 -33.74 73.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.856 HG21 HD11 ' A' ' 4' ' ' ILE . 98.5 t -60.8 -55.0 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.9 OUTLIER -53.19 -32.0 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.73 -37.65 70.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD13 HG21 ' A' ' 75' ' ' VAL . 77.8 mt -56.67 -46.2 81.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 75' ' ' VAL . 98.5 t -62.82 -42.26 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -55.15 -37.09 66.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.7 pt -88.43 4.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m120 64.18 43.42 4.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -106.94 -27.35 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.506 ' O ' HG22 ' A' ' 70' ' ' VAL . 83.0 t -136.55 142.93 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -92.76 130.56 38.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -50.27 -38.7 42.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -47.68 -29.0 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -85.2 -31.66 23.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 81' ' ' PRO . 88.9 t -69.37 138.56 89.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.636 0.731 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.638 HD11 HG21 ' A' ' 66' ' ' VAL . 8.4 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -71.65 -64.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -50.94 -17.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 9.1 t80 -76.99 -46.59 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.6 tp -76.85 -49.83 14.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -53.96 -44.66 70.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.27 -45.6 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.446 ' NE1' HG22 ' A' ' 75' ' ' VAL . 68.0 t90 -57.24 -50.0 74.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 m -64.91 -44.72 88.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.63 -42.24 58.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -61.7 -20.04 63.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -105.9 26.65 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 52.41 42.24 31.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.1 mtm -121.59 157.33 31.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.2 m -134.17 101.59 12.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 132.6 23.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.311 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.47 134.76 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -117.25 103.84 10.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.34 148.33 26.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.732 HG21 ' HE3' ' A' ' 54' ' ' LYS . 84.2 mt -122.74 143.51 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -131.84 163.81 27.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.9 120.14 36.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.5 m -134.83 159.65 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.64 -177.67 21.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -94.25 163.85 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -45.21 -58.0 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -67.31 -33.2 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -111.72 71.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -79.65 146.94 32.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -140.51 157.4 45.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 23.3 m-85 -125.14 108.64 11.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.0 mtp -96.91 120.81 37.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.5 t -113.9 149.34 35.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -142.95 142.94 31.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.738 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 12.4 p -113.61 147.77 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -131.54 147.12 52.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.0 118.73 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -45.16 147.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.72 -41.57 3.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -96.13 144.82 26.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -91.12 -25.29 19.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -75.51 142.59 42.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -132.6 103.79 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' ALA . . . -35.1 135.56 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.464 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.0 ptm -121.25 137.5 54.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -154.18 137.43 5.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -127.51 146.19 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -174.83 131.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.1 p -41.31 -31.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.11 154.88 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.732 ' HE3' HG21 ' A' ' 23' ' ' ILE . 2.1 mmmm -79.43 -49.14 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -48.13 -51.87 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ALA . 11.4 t70 -64.78 -58.24 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ASP . . . -35.46 -46.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.09 -58.23 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -47.89 -36.86 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.66 -33.93 73.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.36 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -60.34 -54.05 50.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.51 -32.94 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -67.51 -61.61 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -49.21 -22.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 4' ' ' ILE . 96.7 t -73.14 -35.13 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.1 p30 -65.57 -34.86 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -72.2 -33.61 67.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.582 HD13 HG21 ' A' ' 75' ' ' VAL . 78.1 mt -62.04 -50.13 73.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.7 t -56.39 -36.64 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -62.81 -49.52 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.46 HD11 HD23 ' A' ' 69' ' ' LEU . 25.5 pt -71.14 -0.37 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 67.43 37.64 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -103.97 -23.38 13.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.582 HG21 HD13 ' A' ' 69' ' ' LEU . 92.8 t -137.1 138.94 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -90.45 130.38 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.6 p -53.04 -36.61 60.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -49.76 -25.31 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.99 -24.61 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.1 t -72.7 129.95 86.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 1.075 HD11 HG21 ' A' ' 66' ' ' VAL . 5.8 tp . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.951 0.405 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -62.47 -39.07 92.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -70.11 -28.09 65.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -72.86 -62.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.1 tp -57.42 -52.31 65.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -46.75 -62.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.35 -47.25 72.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.455 ' NE1' HG22 ' A' ' 75' ' ' VAL . 67.5 t90 -57.59 -35.66 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.6 m -73.4 -47.83 38.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.19 -43.86 88.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -55.97 -29.81 60.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.428 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 16.6 mtp85 -98.06 19.57 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 tptm 59.34 43.88 16.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 69.8 mtm -132.69 150.85 52.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -126.12 119.43 23.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.567 0.698 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.43 30.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.53 115.22 29.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -106.33 129.55 54.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.48 131.57 27.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.478 HD13 ' HD2' ' A' ' 54' ' ' LYS . 67.9 mt -107.94 148.79 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -126.24 158.72 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.17 122.42 43.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.72 175.15 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.04 179.26 34.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 29' ' ' LYS . 24.5 m120 -83.85 147.71 27.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' ASN . 25.9 ttpt -37.94 -45.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -71.42 -47.19 57.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -99.87 93.93 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' THR . 18.5 tp60 -81.04 139.67 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -135.26 157.27 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -131.84 123.23 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mtt -107.4 104.86 14.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.1 t -98.99 136.02 39.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -133.91 136.2 44.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.7 144.64 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -132.85 148.64 52.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 91.7 t -140.97 116.97 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -46.61 140.67 4.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.58 -27.5 20.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -112.13 156.14 22.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -95.76 -40.52 9.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -65.92 145.02 56.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.14 114.2 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.143 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.26 139.61 4.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -124.0 129.75 51.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.97 136.77 8.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -128.7 133.19 48.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.369 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -172.07 145.11 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 32' ' ' GLN . 10.4 m -61.43 -28.35 69.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -94.09 148.1 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HD2' HD13 ' A' ' 23' ' ' ILE . 2.5 mmmm -74.74 -34.89 62.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -19.08 56.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -88.84 -33.62 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.35 -27.22 68.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -74.64 -53.64 8.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.7 t -53.52 -27.16 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -81.35 -33.55 32.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.42 -54.19 15.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -58.26 -48.8 79.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.473 ' N ' HG12 ' A' ' 4' ' ' ILE . 5.0 mmm180 -60.95 -20.92 62.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.475 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 40.3 t0 -77.29 -62.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -47.63 -29.15 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.075 HG21 HD11 ' A' ' 4' ' ' ILE . 82.7 t -60.85 -49.79 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 1.1 p30 -48.18 -32.38 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.472 ' CE1' HD13 ' A' ' 72' ' ' ILE . 34.6 t80 -79.19 -28.95 42.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 mt -68.91 -28.01 66.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.8 t -85.95 -42.14 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -60.17 -32.73 71.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 68' ' ' TYR . 23.5 pt -84.04 -5.1 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.8 t30 72.7 36.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -103.76 -26.25 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.455 HG22 ' NE1' ' A' ' 11' ' ' TRP . 96.0 t -135.65 140.95 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -92.06 131.19 37.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.8 p -56.26 -23.89 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.04 -24.76 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -93.36 -36.16 12.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 81' ' ' PRO . 97.4 t -62.87 138.66 97.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.88 HD11 HG21 ' A' ' 66' ' ' VAL . 4.3 tp . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.884 0.373 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 21' ' ' TYR . 1.8 tmtt? -47.53 -47.56 27.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -54.71 -32.75 60.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.552 ' CE1' ' HA ' ' A' ' 80' ' ' VAL . 74.4 t80 -67.09 -62.08 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 ' OH ' ' A' ' 21' ' ' TYR . 52.1 tp -56.44 -53.68 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.78 -68.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.43 -39.56 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.515 ' NE1' HG22 ' A' ' 75' ' ' VAL . 88.0 t90 -62.18 -48.37 80.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 m -64.59 -45.72 85.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.7 -41.9 43.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -60.59 -38.52 84.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.401 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 24.0 mtp85 -87.93 18.62 4.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 57.32 45.78 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 23.7 mtm -127.17 154.89 44.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 5.4 m -132.87 101.6 13.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.694 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.5 Cg_endo -69.76 133.94 26.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.17 139.54 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.5 ' OH ' HD23 ' A' ' 8' ' ' LEU . 83.5 m-85 -121.2 122.5 40.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -119.02 130.52 55.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.407 HD13 ' HE2' ' A' ' 54' ' ' LYS . 42.1 mt -110.08 135.75 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -121.57 161.18 22.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.93 122.57 47.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.4 m -142.33 174.53 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.06 164.36 28.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -67.82 160.89 27.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -46.05 -45.46 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -77.86 -46.46 21.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -93.48 90.54 6.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -91.78 140.67 29.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -135.49 158.82 43.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -126.64 115.64 19.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.9 mtt -99.25 110.82 23.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -103.27 140.94 36.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -137.06 146.42 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.4 p -127.41 146.35 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -139.1 147.83 42.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 74.1 t -139.63 123.25 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -45.44 136.08 5.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.76 -43.19 1.73 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -94.52 147.21 23.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -94.25 -37.46 11.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.27 138.1 55.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.76 134.56 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.54 133.83 38.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mmt -108.15 131.75 54.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.04 133.02 6.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.05 122.26 18.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -164.25 145.97 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -56.19 -32.06 64.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -106.76 157.57 17.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HE2' HD13 ' A' ' 23' ' ' ILE . 26.1 mtpt -70.21 -49.76 46.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -42.99 -60.94 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.69 -52.91 63.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.68 -56.58 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.98 -44.68 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.5 m -60.99 -42.4 98.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -59.7 -53.81 53.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.78 -58.95 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.604 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -56.32 -55.97 26.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -48.56 -29.71 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 15.2 t70 -70.93 -65.93 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -45.19 -37.12 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.88 HG21 HD11 ' A' ' 4' ' ' ILE . 94.0 t -54.35 -41.01 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.9 OUTLIER -63.98 -39.32 93.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.43 ' CE2' HD13 ' A' ' 72' ' ' ILE . 30.6 t80 -63.1 -43.76 97.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.662 HD23 HD11 ' A' ' 72' ' ' ILE . 56.2 mt -57.52 -51.51 69.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.1 t -53.06 -45.19 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.1 mmt-85 -58.03 -51.86 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.662 HD11 HD23 ' A' ' 69' ' ' LEU . 20.3 pt -69.55 -1.96 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 69.6 33.91 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' CA ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -93.14 -26.6 17.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.515 HG22 ' NE1' ' A' ' 11' ' ' TRP . 67.5 t -146.54 132.24 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.62 149.67 26.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 p -70.61 -26.85 63.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -54.45 -20.43 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -97.21 -29.45 13.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 81' ' ' PRO . 95.6 t -64.38 138.81 97.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.656 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.894 HD11 HG21 ' A' ' 66' ' ' VAL . 7.2 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.897 0.38 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -64.19 -39.33 93.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.62 -22.49 56.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -81.21 -63.17 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 tp -50.49 -36.89 35.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -64.26 -49.05 73.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.7 92.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' NE1' HG22 ' A' ' 75' ' ' VAL . 85.4 t90 -71.36 -38.33 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 1.7 p -66.31 -41.51 89.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.437 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -53.72 -41.44 65.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -55.45 -33.96 64.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -96.45 7.4 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? 59.59 50.73 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.4 mtm -130.29 162.84 28.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.6 m -139.3 115.45 8.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.551 0.691 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.8 24.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.69 119.66 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -105.89 115.95 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -135.27 127.66 30.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.487 HD11 ' NE2' ' A' ' 58' ' ' GLN . 4.6 mp -104.81 132.72 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -104.86 160.39 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.61 121.37 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.53 172.63 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.23 172.19 33.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -74.59 160.06 31.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -52.53 -37.94 58.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -73.57 -49.34 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -102.19 95.88 6.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.54 142.56 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.01 157.03 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -126.24 123.25 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.3 mtp -105.78 107.76 18.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.528 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 8.5 t -98.3 127.34 44.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -133.68 124.99 27.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 3.7 p -106.2 132.94 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -118.33 141.28 48.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -131.97 119.37 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.22 139.79 10.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.9 -37.81 3.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.534 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -102.21 145.94 28.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -84.61 -40.62 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.88 148.72 49.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -134.45 119.23 18.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.54 118.73 5.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 ptm -111.35 140.43 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -146.42 136.93 6.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.8 133.97 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.0 m -165.0 171.03 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.41 -27.76 37.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -119.68 157.55 28.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -69.57 -42.99 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -43.67 -60.8 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.07 -54.51 32.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 36' ' ' CYS . . . -40.31 -42.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.487 ' NE2' HD11 ' A' ' 23' ' ' ILE . 22.9 mm-40 -61.07 -47.37 86.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -59.13 -43.62 92.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -58.75 -48.78 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.22 -64.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -47.21 -51.13 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -54.98 -40.47 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.494 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 5.9 t0 -59.58 -58.27 9.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -52.77 -42.35 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.894 HG21 HD11 ' A' ' 4' ' ' ILE . 83.9 t -48.67 -52.82 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.7 OUTLIER -58.01 -43.69 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.489 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 37.7 t80 -56.72 -33.53 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' A' ' 75' ' ' VAL . 32.8 mt -69.67 -43.55 72.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.15 -33.33 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -66.23 -41.39 90.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.449 HG13 ' CG ' ' A' ' 74' ' ' GLU . 12.3 pt -84.38 15.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 73' ' ' ASN . 0.5 OUTLIER 55.97 40.29 30.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CG ' HG13 ' A' ' 72' ' ' ILE . 6.0 mm-40 -105.13 -23.27 12.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.527 HG23 ' HB3' ' A' ' 69' ' ' LEU . 74.7 t -137.17 140.85 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -92.96 128.09 38.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.3 p -51.43 -31.25 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -51.72 -28.54 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -91.12 -26.46 19.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 81' ' ' PRO . 84.9 t -69.81 138.67 88.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 80' ' ' VAL . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.856 HD11 HG21 ' A' ' 66' ' ' VAL . 8.8 tp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' CD ' ' H ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -56.22 -58.45 7.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -46.64 -36.69 7.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -65.52 -67.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.1 tp -47.27 -48.08 24.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -51.61 -54.03 32.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.09 75.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.47 ' NE1' HG22 ' A' ' 75' ' ' VAL . 90.3 t90 -53.74 -42.41 68.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -79.47 -23.7 42.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.24 -22.06 76.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -90.82 -32.29 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.8 mtt-85 -85.53 26.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.74 47.01 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.5 mtm -133.53 157.45 45.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 m -134.73 110.86 11.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 147.99 63.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.87 125.89 42.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -109.79 144.08 38.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -139.93 120.1 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -99.23 134.66 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -120.97 166.67 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.54 117.81 31.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.496 HG21 ' HG3' ' A' ' 35' ' ' MET . 2.0 m -135.48 172.04 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.32 -164.51 20.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -104.89 168.14 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -50.96 -53.9 28.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -64.95 -48.45 74.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -99.75 92.46 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -89.45 135.64 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -134.55 164.88 26.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.31 139.6 45.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.496 ' HG3' HG21 ' A' ' 26' ' ' VAL . 7.2 mtp -115.72 116.98 29.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.7 t -109.95 123.94 50.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -123.36 129.36 51.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.1 p -106.46 136.31 41.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -127.49 144.91 51.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.8 t -136.03 121.88 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -48.37 153.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.3 -45.56 2.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.442 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -90.51 158.37 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -98.62 -38.37 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -63.69 153.26 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.73 114.55 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.49 123.72 31.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 mtt -110.28 131.3 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.12 152.63 20.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -144.85 133.3 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.465 ' HB2' ' CA ' ' A' ' 57' ' ' ALA . 3.1 m -169.62 136.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.7 p -49.63 -28.1 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -114.99 142.07 47.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 55' ' ' LYS . 51.9 mttt -56.29 -58.32 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 54' ' ' LYS . 15.5 tptp -34.31 -61.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.94 -55.28 36.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.465 ' CA ' ' HB2' ' A' ' 51' ' ' SER . . . -40.69 -52.49 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.407 ' HB3' HE21 ' A' ' 58' ' ' GLN . 3.0 mm100 -55.23 -42.7 73.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.493 ' O ' HG21 ' A' ' 4' ' ' ILE . 20.1 m -62.81 -39.68 95.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -65.08 -49.73 68.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.64 -59.76 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -54.95 -62.95 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' ALA . 4.5 ttp180 -35.9 -45.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -58.91 -61.48 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -51.99 -38.88 58.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.856 HG21 HD11 ' A' ' 4' ' ' ILE . 59.0 t -52.13 -44.56 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.55 -47.69 84.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -53.07 -41.1 64.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.698 HD13 HG21 ' A' ' 75' ' ' VAL . 51.2 mt -58.36 -53.23 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 75' ' ' VAL . 99.2 t -56.38 -37.61 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -62.48 -41.99 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.434 ' CG1' ' OE2' ' A' ' 74' ' ' GLU . 26.7 pt -83.72 -0.76 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m120 72.13 39.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.434 ' OE2' ' CG1' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -103.15 -27.19 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.698 HG21 HD13 ' A' ' 69' ' ' LEU . 97.8 t -137.86 133.17 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -87.32 132.34 33.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.2 p -52.17 -31.86 33.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -54.41 -24.12 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.51 -35.59 15.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.423 HG13 ' HD2' ' A' ' 81' ' ' PRO . 95.3 t -63.44 133.0 95.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.896 0.379 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HE3' ' CZ ' ' A' ' 21' ' ' TYR . 8.0 tptm -75.56 -55.49 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -47.91 -27.92 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -70.33 -64.25 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.07 -54.96 16.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -49.27 -59.25 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.93 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.47 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 76.0 t90 -55.27 -54.03 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' SG ' ' CB ' ' A' ' 17' ' ' MET . 1.8 t -56.84 -41.88 78.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.77 -39.11 93.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -60.25 -31.25 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 29.7 mtp180 -92.61 17.42 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp 59.85 44.02 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.405 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 71.0 mtm -129.68 163.49 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 10.8 m -139.71 108.3 7.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.57 0.7 . . . . 0.0 111.159 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.8 Cg_endo -69.77 133.41 25.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.16 141.4 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.408 ' CZ ' ' HE3' ' A' ' 5' ' ' LYS . 66.8 m-85 -122.45 126.55 48.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -120.72 118.71 30.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.4 mt -101.98 123.02 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -109.84 162.75 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.26 120.76 38.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -149.0 150.36 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.24 166.66 12.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -63.51 172.5 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -76.42 -3.4 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -100.46 -53.41 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -116.26 76.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.93 154.56 29.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -129.61 158.92 37.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -133.58 111.97 11.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.9 mtp -94.92 109.82 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.3 t -102.28 121.61 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -119.96 145.52 46.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.4 p -124.14 145.42 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -133.65 146.64 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -138.07 124.29 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -49.22 142.35 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.14 -39.69 2.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -95.8 148.31 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -92.67 -34.4 13.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -67.64 147.54 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.38 114.56 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.16 135.21 17.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.2 mtp -131.29 130.42 42.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -145.14 134.97 5.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -113.69 136.3 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -166.01 140.48 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.2 p -61.06 -22.99 65.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -107.62 140.31 40.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -61.8 -51.95 66.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -50.35 -54.11 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' ALA . 24.7 t0 -57.65 -59.4 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ASP . . . -36.97 -46.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -57.29 -58.14 9.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 m -45.72 -38.58 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -69.61 -47.66 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.9 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -59.37 -60.67 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -48.8 -44.41 39.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.85 -55.41 20.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.13 -40.69 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 62' ' ' ALA . 64.9 t -49.75 -45.67 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -55.0 -29.73 57.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.434 ' O ' HG23 ' A' ' 72' ' ' ILE . 33.5 t80 -79.48 -28.28 41.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 24.0 mt -71.4 -29.01 64.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.8 t -84.7 -38.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -62.93 -35.08 78.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 68' ' ' TYR . 37.3 pt -80.99 -5.16 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 71.68 42.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -111.0 -28.4 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.442 HG22 ' NE1' ' A' ' 11' ' ' TRP . 77.1 t -130.75 130.31 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -83.84 126.81 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t -49.52 -26.88 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -55.07 -32.57 62.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.2 -30.33 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.1 t -64.68 131.38 95.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.381 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.625 HG23 ' N ' ' A' ' 5' ' ' LYS . 8.0 tp . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.902 0.382 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.625 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -36.49 -60.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -43.47 -38.7 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 4' ' ' ILE . 66.0 t80 -62.71 -66.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 tp -48.03 -54.7 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -47.58 -62.08 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.84 57.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.488 ' NE1' HG22 ' A' ' 75' ' ' VAL . 77.3 t90 -54.53 -48.66 71.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 11.8 m -63.16 -50.67 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.53 -45.96 46.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -53.95 -30.26 46.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.727 0.299 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -97.86 21.54 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.2 mttt 55.76 39.0 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.2 mtm -123.51 162.87 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 m -138.25 111.25 8.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 12' ' ' CYS . 53.7 Cg_endo -69.78 131.82 21.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.61 124.23 39.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -110.11 126.88 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -134.58 141.38 46.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.8 mt -118.59 142.72 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -129.79 167.99 17.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.28 128.58 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.14 175.71 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.0 -161.31 30.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -107.27 171.76 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -63.87 -26.12 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -75.41 -45.85 36.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -116.03 86.95 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.94 140.16 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.03 156.12 48.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.463 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 24.0 m-85 -129.5 108.95 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.4 mtp -93.58 132.62 37.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -127.45 142.82 51.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -138.45 134.48 34.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 38' ' ' VAL . 14.5 p -116.51 124.51 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -114.58 148.59 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.0 t -136.28 113.78 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -43.4 130.08 5.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.61 -43.74 1.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -94.73 151.75 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.893 0.377 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -89.25 -42.37 11.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -67.38 137.08 55.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.47 107.67 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.67 133.87 2.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.429 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -129.9 153.08 48.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -155.44 140.97 7.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -128.15 117.53 21.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 m -152.1 167.01 29.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -78.49 -35.15 46.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -93.75 143.32 26.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 76.2 mttt -66.02 -47.68 73.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -53.11 -57.32 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -55.4 -58.05 9.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.71 -54.72 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -54.17 -43.82 70.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.3 t -62.25 -40.69 97.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -60.81 -45.96 92.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.87 53.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.053 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -60.17 -48.82 80.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -31.95 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.97 -63.71 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -44.48 -34.36 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 62' ' ' ALA . 92.7 t -55.67 -46.45 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -58.82 -36.16 74.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -67.6 -34.0 76.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.566 HD13 HG21 ' A' ' 75' ' ' VAL . 52.5 mt -64.65 -49.24 71.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.3 t -56.19 -42.97 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.7 mmt-85 -56.95 -52.54 64.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.505 HD11 HD23 ' A' ' 69' ' ' LEU . 26.1 pt -70.67 -0.63 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 68.08 42.28 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -106.56 -16.78 14.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.566 HG21 HD13 ' A' ' 69' ' ' LEU . 88.0 t -141.92 141.47 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -91.08 126.47 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 p -50.12 -32.03 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -53.23 -29.75 34.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -87.28 -36.63 17.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.82 131.45 94.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.678 0.752 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 7.8 t -129.41 43.37 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.1 p -142.04 166.75 23.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -103.21 -179.2 26.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 t -112.57 99.09 7.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.822 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -126.85 82.37 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.01 166.92 24.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.597 HD11 HG21 ' A' ' 66' ' ' VAL . 9.9 tp -84.8 -28.66 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.906 0.384 . . . . 0.0 111.187 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -69.25 -51.14 40.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -58.29 -24.19 58.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.631 ' HZ ' HG11 ' A' ' 75' ' ' VAL . 10.0 t80 -68.5 -56.78 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.55 -51.19 70.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -56.11 -38.03 70.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.04 76.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.721 ' NE1' HG22 ' A' ' 75' ' ' VAL . 90.1 t90 -70.11 -36.38 74.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 1.3 p -76.01 -41.83 49.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -52.04 -44.44 56.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -68.07 -35.21 77.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.572 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 13.7 mtp85 -85.9 18.07 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm 49.21 49.08 20.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.8 mtm -134.4 160.06 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.6 m -142.62 118.88 6.84 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 144.13 52.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.68 117.45 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.529 ' CD2' ' OE1' ' A' ' 58' ' ' GLN . 14.6 m-85 -100.28 137.95 38.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -137.67 120.75 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mt -92.11 143.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -132.56 161.18 34.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.86 126.2 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.6 m -149.26 173.7 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.53 -156.23 19.41 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -107.69 178.52 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -67.96 -53.64 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -57.23 -47.75 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 mmt-85 -117.19 108.3 15.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -96.87 158.99 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -143.08 158.77 43.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -126.98 104.4 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.0 mtt -88.05 127.24 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.9 t -117.17 130.2 56.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -121.57 126.83 50.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.4 p -107.86 130.5 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 12.9 mtp-105 -121.72 145.15 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.6 t -133.37 115.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -45.77 139.34 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.36 -34.12 5.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -105.69 155.0 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -93.8 -42.4 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 47.1 t80 -61.89 149.41 40.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.56 123.14 24.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.0 127.43 44.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.8 ptm -109.5 130.02 55.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.27 134.09 7.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -127.38 132.33 50.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m -173.57 136.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.9 m -53.09 -29.64 31.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -101.16 151.03 22.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -72.74 -47.44 46.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -50.78 -48.28 59.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.51 -52.82 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.91 -44.14 6.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.529 ' OE1' ' CD2' ' A' ' 21' ' ' TYR . 34.5 mm-40 -61.45 -52.09 65.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.5 m -56.42 -44.44 80.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -59.06 -53.0 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.88 -52.46 6.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.26 -63.49 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.31 -39.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.05 -58.06 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -53.66 -40.22 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 4' ' ' ILE . 66.2 t -53.0 -48.92 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -56.33 -44.65 80.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.481 ' CE2' HD13 ' A' ' 72' ' ' ILE . 25.3 t80 -57.66 -43.65 85.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 72' ' ' ILE . 47.7 mt -55.64 -51.86 65.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.13 -43.54 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 4.9 mmm180 -60.94 -52.43 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.645 HD11 HD23 ' A' ' 69' ' ' LEU . 19.0 pt -67.31 -3.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.449 ' C ' ' OE1' ' A' ' 74' ' ' GLU . 2.6 m-80 71.18 35.18 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -94.72 -33.19 13.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.721 HG22 ' NE1' ' A' ' 11' ' ' TRP . 93.8 t -135.76 140.48 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -91.09 138.59 31.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.6 p -53.89 -31.56 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -47.83 -28.32 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -88.9 -31.69 18.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.668 HG13 ' HD2' ' A' ' 81' ' ' PRO . 87.1 t -65.11 138.75 97.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.668 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.75 152.65 69.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.19 161.17 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.04 107.94 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.17 -43.69 0.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.479 ' N ' HD13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -66.33 148.16 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.353 . . . . 0.0 111.182 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.7 t -134.47 85.03 38.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 111.159 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.62 18.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.278 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.33 64.62 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' GLY . 54.0 Cg_endo -69.72 -15.95 37.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.36 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -41.68 94.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 89' ' ' PRO . . . 157.9 83.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.463 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 101.02 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m 55.93 49.37 16.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.5 p -116.98 -46.92 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 73.9 m -88.05 164.93 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.9 p -168.01 153.53 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -71.24 155.87 52.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.3 m -67.66 143.17 56.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 p -107.99 -55.13 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.67 -142.89 6.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.4 tp -72.83 -24.56 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.511 ' HE2' ' CZ ' ' A' ' 21' ' ' TYR . 10.9 tmtt? -56.61 -51.37 68.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -56.56 -37.33 70.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.04 -59.89 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.9 -61.74 2.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -39.96 -56.18 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.59 -56.54 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.541 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 88.8 t90 -47.3 -55.89 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' SG ' ' CB ' ' A' ' 17' ' ' MET . 1.8 t -56.02 -43.93 78.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.75 -38.88 97.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -58.4 -30.3 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.304 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.541 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 6.2 mtp-105 -96.36 19.65 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 61.38 49.94 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 25.6 mtm -134.09 161.06 35.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.3 m -139.9 104.94 6.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 145.49 57.57 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.02 143.28 35.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.511 ' CZ ' ' HE2' ' A' ' 5' ' ' LYS . 65.6 m-85 -124.37 129.06 50.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -143.01 122.91 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 24' ' ' ARG . 5.3 mp -98.1 151.7 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' N ' HG22 ' A' ' 23' ' ' ILE . 24.2 ttt180 -127.92 161.11 29.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.82 122.57 46.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 m -137.25 173.99 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.49 153.64 15.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -63.31 161.82 13.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -43.65 -49.54 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -62.53 -53.04 60.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -97.09 86.98 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -91.07 141.76 28.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -141.52 162.71 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -126.16 114.67 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.9 mtp -98.43 118.6 35.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.3 t -113.05 134.95 54.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -132.13 146.19 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.81 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 7.1 p -121.14 149.37 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 13.6 mtp-105 -137.8 137.78 38.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.09 123.52 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -48.36 144.99 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.96 -41.66 2.49 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -97.14 161.3 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -102.08 -46.7 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.92 145.73 51.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -132.88 125.69 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.08 132.18 45.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.462 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -124.09 140.87 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.05 133.47 5.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.539 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -114.54 121.42 43.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -150.4 170.61 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.2 p -86.8 -23.23 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -111.26 143.66 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -55.13 -54.62 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -53.62 -55.23 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -50.16 -55.7 14.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.08 -44.78 52.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -56.9 -47.49 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -56.03 -43.65 78.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -64.11 -51.32 64.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.42 -54.77 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.21 -58.02 9.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -43.34 -57.09 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -43.38 -54.56 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.21 -50.92 69.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.6 t -42.41 -48.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -52.83 -37.96 60.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.433 ' CE1' HD13 ' A' ' 72' ' ' ILE . 28.3 t80 -72.42 -30.95 65.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 mt -71.76 -26.83 62.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.962 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 75' ' ' VAL . 87.3 t -87.35 -37.47 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -64.36 -31.8 73.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.433 HD13 ' CE1' ' A' ' 68' ' ' TYR . 16.6 pt -85.51 -0.15 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.3 t30 70.69 37.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -105.02 -23.52 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.418 ' O ' HG22 ' A' ' 70' ' ' VAL . 95.7 t -139.82 134.43 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -88.42 127.1 35.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -47.56 -37.63 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.11 -33.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -85.26 -35.54 21.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.442 HG13 ' HD2' ' A' ' 81' ' ' PRO . 87.8 t -63.15 133.12 95.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.623 0.725 . . . . 0.0 111.129 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.76 158.16 57.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.2 159.62 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 84' ' ' GLY . 0.2 OUTLIER -100.13 112.46 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 83' ' ' VAL . . . -33.96 -91.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.432 HD13 ' N ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -71.05 132.26 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.879 0.371 . . . . 0.0 111.167 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.4 t -131.71 82.48 60.59 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.589 0.709 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.83 23.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.635 2.224 . . . . 0.0 112.375 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 147.64 63.24 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.82 31.34 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -99.19 83.39 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.01 84.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 137.64 35.92 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 76.9 p -59.8 149.11 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.0 m -156.54 132.64 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.2 t -120.58 -47.72 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 59.4 m -63.31 103.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 76.29 168.99 28.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 t -139.22 144.06 38.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.846 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -104.36 95.9 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.51 -173.2 41.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.537 HD11 HG21 ' A' ' 66' ' ' VAL . 6.3 tp -80.97 -30.93 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.917 0.389 . . . . 0.0 111.121 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -55.61 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -48.74 -40.49 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' CE2' HG22 ' A' ' 80' ' ' VAL . 80.7 t80 -56.79 -57.06 14.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.45 -57.3 13.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -47.55 -56.73 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.66 77.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.551 ' NE1' HG22 ' A' ' 75' ' ' VAL . 89.8 t90 -51.59 -54.15 30.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -59.75 -50.76 72.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.08 -43.91 13.67 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -63.66 -32.79 74.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mtp85 -92.42 29.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.57 40.89 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.7 mtm -124.5 155.89 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.422 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 23.2 m -134.92 101.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.169 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.5 Cg_endo -69.81 132.37 23.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.3 143.92 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -125.54 117.59 23.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -122.31 122.76 39.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.434 HD11 ' CG ' ' A' ' 58' ' ' GLN . 21.1 mt -107.75 128.14 63.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -111.04 158.94 18.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.42 130.86 52.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.625 HG23 ' HB3' ' A' ' 33' ' ' LYS . 12.2 m -143.08 174.9 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.37 151.29 27.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -76.68 160.64 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -25.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -74.97 -53.8 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.3 mmm-85 -117.04 107.26 14.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? -90.03 139.74 30.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.625 ' HB3' HG23 ' A' ' 26' ' ' VAL . 28.1 tptt -145.23 155.2 43.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -125.65 137.95 53.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 73.0 mtp -116.74 113.25 22.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.4 t -105.41 127.91 53.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -123.21 136.6 54.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 p -115.57 144.67 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 14.6 mtp-105 -138.44 140.79 39.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.9 t -125.49 124.27 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -47.34 137.04 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.01 -42.82 1.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -96.29 143.56 27.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -84.76 -42.35 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -63.38 148.37 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' HB2' ' HG2' ' A' ' 39' ' ' ARG . . . -130.88 139.66 50.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.0 131.89 14.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -113.56 131.34 56.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.97 132.39 5.7 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -119.06 144.98 46.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -174.15 149.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -65.25 -32.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -110.22 127.61 55.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -46.42 -52.94 12.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -41.82 -55.27 3.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.11 -47.03 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.91 -54.34 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.434 ' CG ' HD11 ' A' ' 23' ' ' ILE . 49.2 mt-30 -48.6 -46.49 39.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 m -60.08 -44.35 94.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -59.5 -52.29 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.83 -57.7 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.22 -50.12 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -49.39 -53.6 21.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -49.32 -49.78 42.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' VAL . 48.2 t80 -56.03 -55.67 30.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 4' ' ' ILE . 99.5 t -35.81 -51.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.1 m120 -47.49 -47.05 27.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.58 ' CE1' HD13 ' A' ' 72' ' ' ILE . 14.7 t80 -63.59 -38.35 90.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD23 HD11 ' A' ' 72' ' ' ILE . 29.9 mt -60.14 -41.62 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.1 t -68.74 -41.32 82.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -59.85 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.58 HD13 ' CE1' ' A' ' 68' ' ' TYR . 25.2 pt -65.61 -9.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m120 74.12 42.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -107.1 -44.08 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.551 HG22 ' NE1' ' A' ' 11' ' ' TRP . 93.9 t -117.28 128.19 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -81.23 126.95 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.3 p -46.12 -35.8 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -44.64 -34.54 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.13 -37.58 18.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.659 HG13 ' HD2' ' A' ' 81' ' ' PRO . 99.3 t -64.81 138.9 97.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.659 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.2 Cg_endo -69.77 150.13 67.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.99 158.94 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -6.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.06 -144.91 7.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' VAL . 5.3 pt -94.47 119.78 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.388 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.458 ' N ' ' CD ' ' A' ' 87' ' ' PRO . 27.6 m 34.35 53.56 1.45 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.599 0.714 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 86' ' ' VAL . 54.1 Cg_endo -69.71 148.68 65.9 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.7 65.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.86 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.381 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.9 p -173.6 145.34 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.98 170.56 29.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 142.9 49.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.368 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -124.88 132.86 53.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.2 p -88.21 -54.61 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.4 m -83.56 107.29 15.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 83.9 p -85.1 157.6 20.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 72.43 157.89 3.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.4 m -65.95 149.11 50.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.485 ' O ' ' ND2' ' A' ' 6' ' ' ASN . 63.5 m -97.34 -59.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.46 -154.81 24.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.58 HD11 HG21 ' A' ' 66' ' ' VAL . 3.1 tp -106.41 -28.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -29.44 69.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.485 ' ND2' ' O ' ' A' ' 2' ' ' SER . 14.5 m-80 -70.73 -17.31 62.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -86.61 -61.49 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.6 tp -49.2 -49.27 43.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -51.25 -54.03 29.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -52.99 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.423 ' NE1' HG22 ' A' ' 75' ' ' VAL . 85.0 t90 -49.4 -50.81 38.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -76.91 -17.48 58.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.31 -30.4 56.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -85.45 -29.54 24.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.732 0.301 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -84.0 19.84 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm 57.18 48.04 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.424 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 54.0 mtm -132.9 159.68 39.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.9 m -136.73 105.06 9.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 126.92 13.79 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.269 . . . . 0.0 112.284 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.95 124.74 39.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -108.06 130.13 55.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -138.28 141.07 39.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.427 HD13 ' HB3' ' A' ' 54' ' ' LYS . 79.8 mt -120.28 143.22 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -124.93 167.95 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.62 125.88 49.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 33' ' ' LYS . 2.6 m -143.75 167.03 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.42 167.34 25.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.25 177.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -63.32 -43.87 96.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.55 -47.46 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -90.28 87.38 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' O ' HG23 ' A' ' 52' ' ' THR . 18.8 tp60 -86.89 141.83 28.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HB3' HG23 ' A' ' 26' ' ' VAL . 11.3 tptm -137.37 156.12 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -129.9 124.27 32.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.0 mtm -109.44 138.71 45.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -125.13 148.82 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -147.17 123.81 11.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.51 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 7.8 p -107.63 133.13 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -123.67 134.36 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.424 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 67.4 t -121.44 118.3 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -45.91 123.04 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.45 -38.33 3.07 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -99.99 157.04 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -97.25 -39.81 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -70.93 142.95 51.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -131.99 123.04 26.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.53 118.23 4.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.8 mtp -107.8 119.99 40.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.347 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -129.17 146.08 16.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -137.95 133.95 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -167.81 133.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 32' ' ' GLN . 26.8 m -40.48 -33.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -102.98 152.43 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HB3' HD13 ' A' ' 23' ' ' ILE . 69.5 mttt -68.74 -50.54 49.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 55' ' ' LYS . 12.7 tmtt? -44.73 -63.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -54.45 29.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.49 -35.53 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -74.48 -38.68 62.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -69.09 -28.4 66.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.59 -46.88 29.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.71 -43.73 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.516 ' HB3' HG23 ' A' ' 4' ' ' ILE . . . -67.37 -31.51 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HG2' HG21 ' A' ' 4' ' ' ILE . 7.4 mmt85 -74.15 -47.9 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -51.59 -58.78 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.521 ' CE2' HD11 ' A' ' 69' ' ' LEU . 43.8 t80 -45.47 -57.32 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.58 HG21 HD11 ' A' ' 4' ' ' ILE . 31.7 t -43.53 -53.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -48.87 -38.02 21.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.575 ' CZ ' HG21 ' A' ' 72' ' ' ILE . 20.4 t80 -74.62 -38.48 62.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.686 HD13 HG21 ' A' ' 75' ' ' VAL . 37.5 mt -57.21 -40.2 76.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.95 -39.94 82.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -60.92 -47.43 86.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.575 HG21 ' CZ ' ' A' ' 68' ' ' TYR . 27.7 pt -71.13 -4.24 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 22.4 t30 69.72 43.46 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -112.67 -23.0 10.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.686 HG21 HD13 ' A' ' 69' ' ' LEU . 69.1 t -133.14 128.74 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -83.77 134.2 34.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.2 p -57.34 -22.12 40.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.85 -27.76 63.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -92.81 -35.96 13.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 81' ' ' PRO . 85.8 t -61.99 138.69 95.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 111.103 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.9 Cg_endo -69.78 -178.12 2.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.88 157.64 20.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.035 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -98.43 110.12 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.55 -23.82 4.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.9 mt -105.94 127.94 60.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.665 HG23 ' HD2' ' A' ' 87' ' ' PRO . 4.5 p -157.25 138.77 9.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 111.128 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.5 Cg_endo -69.75 146.98 61.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.643 2.229 . . . . 0.0 112.352 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.82 68.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.49 7.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t 64.66 42.38 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.18 -162.65 20.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 98.63 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -66.91 169.59 7.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.8 p -127.73 -40.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 6.2 m -50.31 133.38 24.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.1 m 40.59 50.4 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -98.88 -37.77 4.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m -118.82 167.66 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -151.91 165.49 34.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.824 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 153.66 -75.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 66' ' ' VAL . 6.6 tp -117.04 -36.77 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 21' ' ' TYR . 2.5 mmmp? -60.32 -38.73 84.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -62.29 -13.31 27.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -92.2 -58.61 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.53 -34.95 78.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -62.36 -59.74 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.53 -49.88 74.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.46 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 82.1 t90 -47.14 -53.4 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.74 -40.31 79.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.36 -44.36 97.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -55.77 -35.97 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.46 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 26.2 mtp85 -88.24 13.13 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.0 tttt 65.61 47.32 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.3 mtm -142.51 156.82 45.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -136.29 124.29 14.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.165 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 147.76 63.66 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.71 116.95 26.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.494 ' CZ ' ' HE2' ' A' ' 5' ' ' LYS . 34.4 m-85 -102.49 144.58 30.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -143.69 115.37 8.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 55.3 mt -88.02 137.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -125.39 157.53 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.96 128.93 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -147.56 175.64 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.84 168.36 40.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -77.92 165.57 23.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -45.14 -55.38 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -68.63 -50.6 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -96.43 86.0 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -96.9 151.26 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -145.82 158.63 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -127.18 124.78 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtt -106.75 143.07 35.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 t -138.27 121.86 17.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' HB1' ' A' ' 46' ' ' ALA . 21.8 tt0 -115.78 141.76 47.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 38' ' ' VAL . 9.9 p -120.48 120.73 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.71 142.28 41.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.0 t -127.6 132.6 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -51.8 141.37 17.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.82 -29.64 6.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -107.48 149.41 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.27 -34.98 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -67.88 148.31 51.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' HG2' ' A' ' 37' ' ' GLU . . . -134.91 120.66 19.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.54 113.75 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.5 mtp -94.2 122.32 36.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.44 138.27 9.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.25 126.62 20.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -161.03 145.56 13.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 m -52.57 -26.87 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.135 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -95.15 154.78 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -83.11 -30.75 27.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -35.19 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -69.22 -52.08 31.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -66.52 -52.36 46.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -54.93 -40.92 70.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -64.25 -41.55 96.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.54 -58.51 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.67 -63.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -42.42 -51.88 4.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -51.07 -44.47 61.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.81 -55.0 38.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.657 HG21 HD11 ' A' ' 4' ' ' ILE . 97.4 t -40.71 -47.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -54.11 -39.57 66.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CE2' HD13 ' A' ' 72' ' ' ILE . 22.1 t80 -69.76 -37.1 76.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.441 HD23 HD11 ' A' ' 72' ' ' ILE . 29.6 mt -59.15 -47.57 84.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 75' ' ' VAL . 85.9 t -61.69 -42.12 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -57.82 -46.48 84.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.525 HD13 ' CE2' ' A' ' 68' ' ' TYR . 39.7 pt -75.08 1.95 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m120 66.05 42.0 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -105.79 -25.27 12.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' HG22 ' A' ' 70' ' ' VAL . 98.9 t -140.41 130.89 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -82.91 137.1 34.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.3 p -56.76 -26.67 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -56.85 -13.51 2.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -102.93 -35.07 8.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 81' ' ' PRO . 98.3 t -62.89 138.81 97.24 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.572 0.701 . . . . 0.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 80' ' ' VAL . 54.2 Cg_endo -69.7 159.79 52.15 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.36 148.29 28.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.57 108.98 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.85 -67.5 0.51 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.7 pt -102.12 142.91 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.586 HG23 ' HD2' ' A' ' 87' ' ' PRO . 8.2 p -168.4 137.6 1.92 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.639 0.733 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.586 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.8 Cg_endo -69.75 110.31 2.52 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 155.17 66.44 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.372 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 83.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.9 m -84.12 93.05 8.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.48 -85.68 1.6 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.41 25.56 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.5 t -60.81 136.97 58.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 95' ' ' GLY . 3.5 m -94.64 117.49 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 69.7 m -63.32 171.9 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.1 t -60.92 -53.32 58.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 112.89 -144.32 17.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.2 p -76.17 105.88 7.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -105.19 138.41 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.87 -123.26 0.73 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.458 HD11 HG21 ' A' ' 66' ' ' VAL . 9.0 tp -83.17 -26.75 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -40.96 96.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -69.93 -28.62 65.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -64.82 -57.23 9.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD23 ' OH ' ' A' ' 21' ' ' TYR . 60.0 tp -60.43 -58.19 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -44.16 -56.37 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.57 -54.29 45.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 84.6 t90 -47.9 -59.26 3.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.78 -52.8 55.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.14 -45.21 43.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -58.52 -28.69 65.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 25.9 mtp85 -99.58 22.81 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tptt 57.64 50.09 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.3 mtm -132.71 151.94 51.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.43 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 16.7 m -133.9 101.59 12.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.65 0.738 . . . . 0.0 111.168 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 54.1 Cg_endo -69.72 138.85 38.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.73 128.6 55.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.473 ' OH ' HD23 ' A' ' 8' ' ' LEU . 57.5 m-85 -107.67 139.95 41.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -138.28 118.02 13.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 54' ' ' LYS . 77.6 mt -96.74 119.96 45.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -102.39 164.72 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.78 117.4 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.35 175.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.42 -165.34 13.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -103.98 152.8 21.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -22.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -89.32 -53.91 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -103.15 95.16 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -72.25 140.87 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -134.78 154.65 51.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -131.07 123.88 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 38.4 mtt -104.94 124.93 50.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.8 t -104.95 143.23 33.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -140.68 129.03 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.525 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 11.8 p -120.17 124.63 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.532 ' HD3' ' HB2' ' A' ' 46' ' ' ALA . 14.8 mmt85 -114.59 148.48 37.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -140.74 121.93 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -43.49 148.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.52 -43.06 2.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -97.23 157.25 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.34 -40.92 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -70.96 147.54 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.532 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . . . -131.7 141.99 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.09 107.71 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.8 mtp -96.55 131.59 43.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.38 138.7 9.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -127.64 131.24 49.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -167.08 146.4 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.2 p -56.42 -25.6 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -110.97 162.05 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HB3' HD13 ' A' ' 23' ' ' ILE . 34.0 mttt -79.62 -51.97 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -43.87 -59.11 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.59 -54.72 43.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.37 -42.94 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -60.13 -46.77 88.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.7 m -56.51 -45.28 81.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -57.54 -50.33 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.15 -61.0 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.804 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -49.42 -62.67 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -44.71 -50.75 9.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -68.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -45.58 -45.07 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 62' ' ' ALA . 66.3 t -51.26 -43.52 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.11 -38.79 80.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CZ ' HG21 ' A' ' 72' ' ' ILE . 34.1 t80 -64.26 -34.8 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.579 HD13 HG21 ' A' ' 75' ' ' VAL . 62.0 mt -60.27 -45.8 92.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -62.12 -40.31 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -61.54 -43.9 98.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.504 HG21 ' CZ ' ' A' ' 68' ' ' TYR . 40.7 pt -77.89 -0.58 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 67.31 47.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -113.49 -21.27 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.579 HG21 HD13 ' A' ' 69' ' ' LEU . 96.8 t -139.53 142.03 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -91.32 136.29 33.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 p -59.67 -24.88 64.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.35 -18.02 56.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -99.01 -34.21 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.673 HG13 ' HD2' ' A' ' 81' ' ' PRO . 98.8 t -68.48 138.92 91.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.673 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.9 Cg_endo -69.77 164.41 34.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 84' ' ' GLY . . . -78.7 149.45 32.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.437 HG23 ' H ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -65.96 72.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . -163.65 113.73 0.57 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.5 mt -106.94 130.19 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 111.083 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.1 m -73.33 144.43 84.2 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.633 0.73 . . . . 0.0 111.143 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 149.53 66.98 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.357 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.14 67.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -41.44 4.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.1 m -50.98 161.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -123.65 83.21 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 133.08 24.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.9 p -45.82 138.44 4.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.8 p -138.52 121.72 16.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.471 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 11.1 p -154.06 131.43 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.7 t -90.59 152.85 20.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -162.2 90.66 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 m -96.88 116.01 28.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -79.35 131.52 36.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 117.41 -171.02 13.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.532 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.67 HD11 HG21 ' A' ' 66' ' ' VAL . 9.3 tp -115.68 -26.66 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.382 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -66.05 -40.27 90.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -71.27 -20.76 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.88 -60.19 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.41 HD23 ' OH ' ' A' ' 21' ' ' TYR . 54.4 tp -54.8 -48.87 72.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -52.74 -60.95 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.07 63.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -52.08 -49.23 63.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 m -64.5 -48.36 75.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.81 -42.92 29.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -57.73 -38.29 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.297 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -87.68 27.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tptt 53.36 39.16 29.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.448 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 32.0 mtm -120.16 156.14 31.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.413 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 40.3 m -134.64 101.54 11.82 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 111.164 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.9 Cg_endo -69.71 135.96 31.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.25 128.7 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' OH ' HD23 ' A' ' 8' ' ' LEU . 55.2 m-85 -108.48 131.09 55.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -130.19 155.26 46.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.5 HD13 ' HG2' ' A' ' 54' ' ' LYS . 84.6 mt -129.8 139.56 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -130.92 157.49 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.55 130.6 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.22 171.38 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.63 -166.83 34.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -107.53 157.99 17.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -42.6 -46.67 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -63.22 -51.49 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.91 80.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -67.52 132.42 47.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -137.02 155.9 49.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -130.22 134.65 47.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.7 mtt -117.7 118.67 32.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -108.42 141.33 40.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.4 mp0 -136.53 131.93 34.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 47' ' ' GLY . 2.5 p -117.24 131.34 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -119.69 148.42 43.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 73.3 t -137.38 116.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -43.83 134.9 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.41 -40.26 2.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -98.14 159.17 15.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -97.41 -42.13 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -71.83 148.51 46.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -130.28 133.69 46.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.493 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -62.07 100.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.8 ptm -105.91 123.87 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.52 134.13 6.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -111.91 137.21 50.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.2 m -162.5 138.78 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.9 p -46.46 -38.94 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 6.5 p-10 -108.95 153.05 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.5 ' HG2' HD13 ' A' ' 23' ' ' ILE . 4.2 mtmp? -64.33 -49.7 70.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -38.35 -65.53 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -56.56 -50.8 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.79 -57.13 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 54' ' ' LYS . 2.8 mp0 -54.85 -38.79 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -67.08 -35.3 79.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -72.88 -38.05 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.92 -56.42 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.777 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -55.32 -56.79 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -51.49 -47.98 63.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.86 -59.76 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -55.55 -45.54 77.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 62' ' ' ALA . 65.0 t -47.13 -39.16 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -64.87 -34.08 77.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.69 -31.98 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.47 HD23 HD11 ' A' ' 72' ' ' ILE . 39.1 mt -67.84 -41.45 82.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 75' ' ' VAL . 67.5 t -69.43 -33.86 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -66.28 -32.59 74.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.47 HD11 HD23 ' A' ' 69' ' ' LEU . 26.3 pt -89.55 9.28 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 61.58 43.76 9.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -108.21 -31.6 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 70' ' ' VAL . 64.2 t -136.6 141.81 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.65 133.53 35.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.3 t -52.31 -33.12 40.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.35 -19.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.36 -37.55 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.502 HG13 ' HD2' ' A' ' 81' ' ' PRO . 24.4 t -66.3 136.92 95.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.723 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.502 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.8 149.03 66.1 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.47 143.01 28.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -98.03 109.78 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.23 103.09 2.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.432 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 85' ' ' ILE . 4.0 mp -80.79 143.11 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.894 0.378 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.657 HG23 ' HD2' ' A' ' 87' ' ' PRO . 4.4 p -174.97 138.78 0.6 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.59 0.709 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.7 Cg_endo -69.8 110.37 2.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 155.1 66.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 173.03 11.54 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.377 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.6 t -108.76 -49.66 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.52 153.26 19.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 134.19 27.4 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.0 p -113.64 30.71 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.3 m -78.46 95.46 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.5 m -70.13 84.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.7 t -46.73 106.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -52.39 118.26 7.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.9 m -84.74 -53.82 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 55.45 53.77 9.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.15 163.03 12.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.53 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 1.08 HD11 HG21 ' A' ' 66' ' ' VAL . 5.3 tp -74.66 -11.87 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 111.1 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -58.33 3.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -54.14 -30.42 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 8.5 t80 -63.9 -56.53 14.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD11 ' CD2' ' A' ' 65' ' ' PHE . 28.4 tp -56.18 -54.45 45.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -49.35 -49.28 45.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.96 -49.76 73.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.444 ' NE1' HG22 ' A' ' 75' ' ' VAL . 86.8 t90 -53.84 -46.43 71.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 m -77.33 -11.34 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.47 -28.75 31.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.44 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -81.86 -26.76 33.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 8.0 mtp-105 -89.4 16.1 8.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? 61.95 47.78 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.458 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 49.6 mtm -131.62 154.24 49.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 m -132.84 101.68 13.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.62 35.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.59 133.36 54.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.423 ' OH ' HD23 ' A' ' 8' ' ' LEU . 65.9 m-85 -107.61 136.82 46.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -145.5 119.48 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.581 HG21 ' HG2' ' A' ' 54' ' ' LYS . 5.4 mp -103.81 126.75 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -102.55 164.49 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.21 126.28 52.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' HB2' ' A' ' 33' ' ' LYS . 28.6 m -144.76 175.07 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.0 178.9 29.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -86.26 165.64 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -10.94 6.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 4.2 t-20 -94.44 -51.63 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -111.97 96.34 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -72.94 141.28 47.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HB2' HG23 ' A' ' 26' ' ' VAL . 20.2 mtmm -130.86 155.69 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.429 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 47.9 m-85 -130.95 126.45 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtt -111.72 111.47 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -99.56 135.63 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.71 133.61 43.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 38' ' ' VAL . 10.2 p -118.14 117.59 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -107.75 135.66 48.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.458 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 99.2 t -122.39 130.31 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -56.9 139.94 50.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.5 -41.98 2.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -95.53 150.92 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -91.88 -30.04 16.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.517 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 13.1 t80 -74.27 144.85 44.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.64 112.19 10.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.21 114.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -107.57 135.97 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.57 146.26 15.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -132.54 140.12 48.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.7 m -169.26 151.98 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.6 p -63.86 -7.64 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER -138.08 158.08 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.581 ' HG2' HG21 ' A' ' 23' ' ' ILE . 65.9 mttt -72.13 -57.08 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' LYS . 15.8 mtpt -35.74 -48.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' SER . 2.7 m-20 -71.96 -59.08 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.41 -32.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -66.73 -41.62 87.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' ASP . 17.2 t -66.53 -37.47 85.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.57 -46.6 82.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.837 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -62.31 -34.59 76.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -72.57 -44.31 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.458 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 38.9 t70 -55.0 -51.59 65.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CD2' HD11 ' A' ' 8' ' ' LEU . 42.9 t80 -61.29 -49.82 75.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.08 HG21 HD11 ' A' ' 4' ' ' ILE . 76.2 t -49.69 -58.57 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -53.01 -35.24 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 45' ' ' TYR . 22.1 t80 -68.61 -37.63 79.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HB3' HG23 ' A' ' 75' ' ' VAL . 72.4 mt -60.0 -41.44 92.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.8 t -65.93 -42.0 91.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -57.75 -43.3 85.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.415 HD12 ' HG2' ' A' ' 74' ' ' GLU . 30.9 pt -79.82 7.37 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.03 44.61 10.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.415 ' HG2' HD12 ' A' ' 72' ' ' ILE . 12.5 mm-40 -110.49 -24.1 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 69' ' ' LEU . 90.3 t -137.05 141.02 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -92.9 135.59 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -59.06 -30.72 68.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.63 -23.2 16.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -92.06 -38.19 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 81' ' ' PRO . 84.3 t -63.13 138.69 97.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.71 169.19 19.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.78 167.29 11.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -96.91 108.61 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -129.17 43.63 1.29 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.3 pt -85.37 147.14 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.6 m -96.59 142.91 25.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.608 0.718 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.02 66.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.93 65.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 90' ' ' SER . 53.8 Cg_endo -69.77 -7.06 20.1 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' PRO . 41.8 m -38.2 157.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.45 76.09 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 159.51 53.12 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.0 p -129.62 -38.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.1 p -47.93 -47.72 32.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.9 t -160.96 131.48 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 88.2 p -94.35 128.85 41.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -142.72 74.21 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.9 t 59.65 44.75 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -88.12 86.98 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.97 -77.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.744 HD11 HG21 ' A' ' 66' ' ' VAL . 2.6 tp -115.84 -36.18 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -52.35 -35.61 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -68.81 -24.76 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -76.7 -57.96 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.51 -47.83 78.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -57.26 -39.11 74.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.67 -50.77 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.503 ' NE1' HG22 ' A' ' 75' ' ' VAL . 85.3 t90 -60.3 -34.84 74.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 p -74.83 -39.5 61.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.86 -44.96 25.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -64.31 -38.39 90.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.725 0.298 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -82.02 13.59 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt 50.38 45.73 25.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.4 mtm -128.0 159.15 35.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.2 m -142.42 112.36 6.02 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.616 0.722 . . . . 0.0 111.121 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.82 36.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.49 125.24 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -101.45 133.68 45.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -134.22 116.31 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.9 mt -101.75 133.57 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -118.43 159.23 23.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.43 116.88 33.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.7 m -134.54 170.41 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.07 158.83 34.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -65.27 153.86 39.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -49.62 -32.79 13.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.473 ' N ' ' HD3' ' A' ' 29' ' ' LYS . 25.3 m-20 -70.86 -49.98 40.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -105.16 87.16 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -65.85 134.35 52.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -140.58 147.87 40.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 52' ' ' THR . 22.6 m-85 -123.68 145.96 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 77.6 mtp -126.46 114.14 17.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 t -101.65 146.71 27.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -141.96 120.32 12.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.538 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 13.4 p -106.61 127.1 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -121.43 132.98 55.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.5 t -123.6 128.78 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -50.77 154.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.85 -40.08 2.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -100.09 140.92 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.02 -31.89 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -74.81 146.36 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -134.54 121.21 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.45 133.61 3.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 ptp -118.6 129.7 55.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 50' ' ' ASN . . . -148.12 132.87 4.38 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 1.5 m-20 -130.6 123.75 30.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 t -172.18 129.01 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.655 HG23 ' OD1' ' A' ' 53' ' ' ASN . 9.9 t -47.11 -20.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.17 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' A' ' 52' ' ' THR . 5.1 m-20 -95.57 129.86 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -65.14 -47.3 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -51.69 -55.68 18.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.62 -54.73 38.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.25 -54.5 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -57.27 -52.0 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -52.3 -45.7 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -61.44 -46.96 87.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.89 -58.85 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -55.27 -59.25 5.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -47.55 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -41.85 66.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -68.34 -47.25 67.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.744 HG21 HD11 ' A' ' 4' ' ' ILE . 50.0 t -47.13 -36.11 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -63.98 -47.06 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -56.99 -36.52 70.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.472 HD23 HD11 ' A' ' 72' ' ' ILE . 58.8 mt -61.17 -45.26 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.62 -39.82 84.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -60.58 -43.71 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.472 HD11 HD23 ' A' ' 69' ' ' LEU . 35.0 pt -78.34 -1.39 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.1 t30 66.88 38.93 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -101.95 -19.93 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.503 HG22 ' NE1' ' A' ' 11' ' ' TRP . 96.7 t -144.81 130.21 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -80.14 133.81 36.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.2 p -58.0 -17.96 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.84 -18.73 57.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -98.54 -30.09 12.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 81' ' ' PRO . 90.2 t -67.28 138.75 94.48 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.651 0.739 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.74 161.3 46.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.23 168.75 19.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.65 108.19 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.05 -63.49 0.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 86' ' ' VAL . 2.8 pt -96.55 127.19 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.112 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 85' ' ' ILE . 68.8 t -157.89 126.09 2.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.616 0.722 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 152.98 69.87 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.346 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.69 33.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 113.07 3.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 p -109.85 43.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.12 83.22 1.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.48 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -77.83 -54.14 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.5 t -90.76 141.41 28.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.4 m -54.34 174.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.5 t -90.72 -57.26 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 145.01 160.2 8.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 t -159.9 151.96 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -154.8 161.51 41.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.67 -155.33 16.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.898 HD11 HG21 ' A' ' 66' ' ' VAL . 6.6 tp -66.73 -30.55 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -62.65 -54.91 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -50.57 -35.25 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -61.52 -54.81 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.51 HD23 ' OH ' ' A' ' 21' ' ' TYR . 34.7 tp -61.79 -35.9 79.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -67.94 -60.14 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.24 -41.85 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -61.13 -52.56 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.21 -33.01 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.17 -41.32 99.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -63.78 -23.47 67.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -102.33 20.63 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.4 mttp 56.26 50.47 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.9 mtm -131.56 155.45 47.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 27.0 m -138.44 105.02 7.74 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.582 0.706 . . . . 0.0 111.09 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 54.3 Cg_endo -69.77 147.98 64.01 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.394 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.34 121.6 43.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.51 ' OH ' HD23 ' A' ' 8' ' ' LEU . 21.7 m-85 -105.15 132.57 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -134.82 147.44 49.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.449 HD13 ' HE2' ' A' ' 54' ' ' LYS . 97.4 mt -123.67 144.54 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -132.52 155.09 49.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.79 117.22 34.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 m -129.52 169.37 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.45 -171.67 28.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -105.14 172.1 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 pttp -57.74 -40.11 78.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -69.74 -43.24 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -115.33 82.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -72.6 132.49 43.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -129.99 156.67 44.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.445 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 31.3 m-85 -131.95 118.33 19.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.5 mtp -94.97 153.72 17.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -145.97 141.38 27.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -141.27 146.65 37.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 p -128.11 134.41 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.8 mtp-105 -118.77 150.99 38.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -141.42 135.83 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -60.29 149.4 33.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.67 -36.29 3.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -99.63 156.16 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -100.23 -39.63 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.45 150.42 35.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.56 104.63 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.43 129.42 19.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.62 153.39 39.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -153.73 132.1 3.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.84 134.4 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -166.66 139.15 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -41.01 -44.39 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -100.34 161.83 13.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HE2' HD13 ' A' ' 23' ' ' ILE . 20.3 mtpt -78.05 -39.82 40.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -40.52 -68.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' SER . 2.9 m-20 -62.27 -54.84 34.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.85 -34.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -75.44 -40.27 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.7 p -66.57 -38.44 87.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -59.29 -42.92 92.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.36 -63.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -48.06 -44.13 31.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.46 HH12 HG12 ' A' ' 80' ' ' VAL . 15.7 tpt180 -64.46 -57.5 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.4 m-20 -35.32 -65.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CD2' HD11 ' A' ' 8' ' ' LEU . 31.8 t80 -39.93 -44.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.898 HG21 HD11 ' A' ' 4' ' ' ILE . 23.0 t -49.46 -49.07 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.433 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -56.45 -22.31 31.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -88.93 -27.11 21.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD13 HG21 ' A' ' 75' ' ' VAL . 28.6 mt -72.79 -30.96 64.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.33 -34.28 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -65.08 -34.06 77.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.434 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 30.2 pt -85.71 2.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 m120 63.31 34.28 13.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' HG3' HD12 ' A' ' 72' ' ' ILE . 58.8 mm-40 -98.88 -28.17 13.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.501 HG21 HD13 ' A' ' 69' ' ' LEU . 40.0 t -135.9 137.73 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -81.69 123.02 28.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -55.22 -21.62 14.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.6 -16.49 61.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.13 -29.33 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG12 HH12 ' A' ' 63' ' ' ARG . 96.8 t -67.0 132.09 93.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.406 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.9 Cg_endo -69.79 144.01 52.53 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.695 2.263 . . . . 0.0 112.377 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.61 161.51 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -98.49 109.92 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.1 -30.41 3.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 pt -106.89 126.93 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 111.182 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.1 m -131.77 148.46 70.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 111.184 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 162.38 42.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.637 2.225 . . . . 0.0 112.359 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 162.79 40.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' SER . 54.2 Cg_endo -69.75 -44.56 2.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' PRO . 68.6 m -35.66 126.35 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 123.04 80.07 0.49 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 90.51 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -106.19 136.08 46.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 t -48.84 126.15 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.1 m -131.43 118.58 20.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.4 m -53.94 -50.22 66.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 138.55 157.71 7.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m -157.64 118.51 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -63.59 140.46 58.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.64 -125.79 1.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.522 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.542 HG21 ' O ' ' A' ' 59' ' ' SER . 6.9 tp -102.28 -29.03 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -61.68 -47.61 84.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -56.85 -35.14 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -58.59 -68.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.669 HD23 ' OH ' ' A' ' 21' ' ' TYR . 53.8 tp -53.74 -42.96 68.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -55.52 -53.38 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.63 -50.39 69.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' NE1' HG22 ' A' ' 75' ' ' VAL . 75.8 t90 -51.96 -41.72 62.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 m -73.92 -43.64 57.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.55 -31.09 69.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -66.87 -24.79 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 5.4 mtp-105 -106.36 31.74 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp 50.65 49.36 21.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.497 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 31.7 mtm -127.35 154.95 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 10.5 m -135.67 104.47 9.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.8 Cg_endo -69.72 135.11 29.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.323 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.43 123.23 46.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.669 ' OH ' HD23 ' A' ' 8' ' ' LEU . 94.7 m-85 -110.09 145.01 37.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -145.6 126.65 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.1 mt -107.51 118.72 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -105.71 165.25 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.95 123.5 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.9 m -137.42 174.19 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.83 162.76 36.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.83 157.19 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -45.95 -55.88 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -58.14 -35.57 71.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -115.59 91.63 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -75.43 142.18 43.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -143.75 150.12 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -129.56 134.6 47.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtt -116.39 138.91 50.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 61' ' ' ALA . 8.1 t -124.95 135.63 53.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -131.07 134.71 46.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.99 129.48 63.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -128.66 156.81 42.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 98.9 t -139.79 127.15 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -43.14 151.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.98 -43.0 3.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -93.82 152.1 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -108.91 29.12 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -114.2 151.61 32.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.78 104.93 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.88 121.26 5.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ptm -103.66 119.99 40.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.35 136.13 8.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -135.46 135.64 40.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -172.94 134.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.3 p -47.95 -25.26 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -103.07 143.91 31.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -67.54 -55.36 13.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -46.49 -48.58 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -51.99 62.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.35 -35.64 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -72.91 -39.6 66.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.542 ' O ' HG21 ' A' ' 4' ' ' ILE . 50.9 p -68.81 -25.41 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -81.4 -41.9 21.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.457 ' HB2' ' HB3' ' A' ' 36' ' ' CYS . . . -61.64 -54.54 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -54.94 -46.12 74.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' ASP . 2.9 tmt_? -63.62 -57.69 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.6 OUTLIER -35.46 -50.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.41 -46.52 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 62' ' ' ALA . 91.9 t -46.31 -40.87 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -59.25 -41.52 88.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -63.15 -37.98 89.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' HB3' HG23 ' A' ' 75' ' ' VAL . 49.9 mt -60.6 -43.11 97.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.52 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -59.63 -48.0 83.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.0 pt -71.78 -3.53 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.8 t30 71.37 44.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -111.21 -24.31 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.448 HG22 ' NE1' ' A' ' 11' ' ' TRP . 88.5 t -135.33 130.55 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -78.21 126.92 31.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.2 p -49.97 -37.0 30.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -46.62 -30.73 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -87.8 -31.13 19.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.443 HG22 ' CG1' ' A' ' 66' ' ' VAL . 53.8 t -64.51 128.2 93.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.405 ' HG2' HD13 ' A' ' 4' ' ' ILE . 54.1 Cg_endo -69.7 -173.69 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.03 132.28 56.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.56 -6.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.42 -86.13 0.32 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.4 mt -83.9 131.58 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.393 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.52 145.02 28.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.652 0.739 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.32 64.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 148.39 64.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.283 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 109.55 2.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.4 t -143.7 153.78 42.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.63 144.75 7.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 93' ' ' SER . 54.0 Cg_endo -69.8 -24.88 29.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 92' ' ' PRO . 33.5 t -35.09 -63.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.7 t -59.45 108.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.533 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -3' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' -2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' -2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' -3' ' ' GLY . 1.9 t -36.96 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.9 m -84.53 -57.17 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 125.17 151.3 7.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 95.4 p -160.65 169.66 22.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -51.21 132.82 28.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.07 150.35 20.86 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.405 HD11 HG21 ' A' ' 66' ' ' VAL . 4.3 tp -65.04 -33.02 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -55.92 -32.71 64.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -63.75 -14.99 57.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -91.75 -56.28 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.0 tp -57.21 -47.08 82.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -49.98 -53.67 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.09 -60.82 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.455 ' NE1' HG22 ' A' ' 75' ' ' VAL . 55.2 t90 -42.26 -40.44 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.1 m -74.36 -47.75 32.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.92 -34.74 66.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -63.17 -30.77 71.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 5.9 mtp-105 -99.07 28.33 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp 55.79 44.44 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.4 mtm -125.59 152.91 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 30.4 m -134.87 101.64 11.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.2 Cg_endo -69.76 140.3 42.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.94 152.43 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -134.6 139.79 45.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -137.47 149.52 46.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.9 mt -128.99 150.42 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -140.67 160.33 40.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.5 128.35 56.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.498 HG23 ' HB3' ' A' ' 33' ' ' LYS . 2.9 m -141.41 174.54 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.99 173.45 36.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -78.88 177.57 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -59.46 -43.75 93.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -78.59 -38.0 41.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -107.38 90.28 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -98.48 143.34 29.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.498 ' HB3' HG23 ' A' ' 26' ' ' VAL . 5.3 tppt? -137.53 156.92 47.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -124.16 117.47 24.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 38.8 mtm -97.23 133.84 41.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.3 t -125.97 151.32 47.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -144.54 151.29 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.26 132.43 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -128.38 142.08 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.8 t -132.6 123.42 49.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -48.32 139.25 8.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.19 -36.37 4.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.78 162.87 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -105.07 -34.97 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -66.86 144.78 56.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' GLY . . . -131.76 101.95 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' ALA . . . -35.47 145.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.3 mtm -132.3 134.72 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.97 132.95 5.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -130.57 134.79 47.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.9 t -173.33 154.23 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.3 p -60.94 -23.53 65.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 2.0 p-10 -115.6 147.15 41.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -68.55 -44.27 74.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.34 -66.59 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -60.8 -53.48 56.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.52 -42.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -70.66 -54.83 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.2 t -50.91 -41.05 58.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -61.51 -50.47 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.35 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -44.96 -62.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 66' ' ' VAL . 9.3 tpt180 -48.19 -58.55 4.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -38.52 -46.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -69.59 -34.19 73.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 62' ' ' ALA . 96.7 t -59.83 -36.36 65.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -62.43 -44.68 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -61.73 -33.79 74.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.545 HD13 HG21 ' A' ' 75' ' ' VAL . 38.6 mt -61.8 -49.73 75.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.61 -42.72 85.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -55.9 -53.16 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.465 HD12 ' HG2' ' A' ' 74' ' ' GLU . 46.0 pt -67.38 -5.0 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 71.81 40.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.465 ' HG2' HD12 ' A' ' 72' ' ' ILE . 26.8 mm-40 -107.15 -19.44 13.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.545 HG21 HD13 ' A' ' 69' ' ' LEU . 92.0 t -138.44 127.67 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -77.79 126.89 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 p -49.13 -36.79 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -45.73 -34.31 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -84.97 -36.79 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -63.03 131.0 94.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 151.95 69.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.85 165.94 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.57 -9.43 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.159 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.58 -118.03 5.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.6 pt -83.22 151.04 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.525 HG23 ' HD2' ' A' ' 87' ' ' PRO . 15.0 p -174.21 136.89 0.63 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.153 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.525 ' HD2' HG23 ' A' ' 86' ' ' VAL . 54.0 Cg_endo -69.73 148.76 65.99 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.267 . . . . 0.0 112.376 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.5 24.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.52 17.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.4 p -119.64 101.69 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.72 177.24 18.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -14.09 35.71 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -55.81 105.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.5 p -83.84 -175.69 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 26.5 p -122.81 174.83 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 68.4 p -68.27 158.43 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 97.94 -65.66 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.2 m -127.74 155.12 44.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.388 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -104.59 -55.05 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.0 170.8 47.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.856 HD11 HG21 ' A' ' 66' ' ' VAL . 1.8 tp -97.19 -35.57 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 111.161 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -41.68 61.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.0 -27.7 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -75.02 -60.19 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.645 HD23 ' OH ' ' A' ' 21' ' ' TYR . 56.2 tp -48.35 -52.45 21.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -51.48 -59.69 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.57 67.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.42 ' NE1' HG22 ' A' ' 75' ' ' VAL . 89.4 t90 -56.32 -53.45 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.11 -49.53 77.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.87 -29.29 61.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -66.8 -24.34 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -108.13 26.35 10.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.9 mttp 60.7 45.5 10.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.7 mtm -129.76 157.02 43.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.423 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 5.4 m -138.52 105.04 7.68 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.1 Cg_endo -69.78 137.73 36.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.38 135.34 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.645 ' OH ' HD23 ' A' ' 8' ' ' LEU . 55.9 m-85 -119.3 134.99 54.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -131.7 126.19 33.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.4 mt -101.5 128.92 53.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 tpp85 -114.53 157.71 22.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.64 119.21 35.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 m -140.38 168.65 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.63 -164.26 13.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.532 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -98.48 165.22 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -49.53 -44.76 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -81.62 -39.39 24.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -95.15 84.04 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -79.9 135.9 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -132.57 157.21 45.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -133.76 109.91 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 mtt -97.69 101.56 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.7 t -97.9 144.01 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -144.64 132.22 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.519 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 7.9 p -109.47 148.51 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -140.37 143.01 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.46 118.0 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -48.32 125.06 8.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.12 -35.68 4.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -101.7 152.12 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -89.46 -46.76 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -63.45 142.82 58.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -132.04 109.54 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.01 128.63 2.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -122.72 135.56 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.34 132.62 4.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -131.81 136.66 47.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -173.77 150.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.0 p -55.71 -27.31 49.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -96.28 157.24 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -85.7 -43.36 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -57.81 -46.83 84.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.77 -47.43 78.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.14 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -65.62 -45.81 81.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 p -60.36 -37.85 82.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -66.73 -46.47 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.47 76.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -63.72 -65.45 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -45.2 -43.49 10.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.427 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -49.71 -58.05 6.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.97 -33.74 73.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.856 HG21 HD11 ' A' ' 4' ' ' ILE . 98.5 t -60.8 -55.0 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.9 OUTLIER -53.19 -32.0 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.73 -37.65 70.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD13 HG21 ' A' ' 75' ' ' VAL . 77.8 mt -56.67 -46.2 81.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 75' ' ' VAL . 98.5 t -62.82 -42.26 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -55.15 -37.09 66.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.7 pt -88.43 4.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m120 64.18 43.42 4.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -106.94 -27.35 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.506 ' O ' HG22 ' A' ' 70' ' ' VAL . 83.0 t -136.55 142.93 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -92.76 130.56 38.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -50.27 -38.7 42.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -47.68 -29.0 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -85.2 -31.66 23.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 81' ' ' PRO . 88.9 t -69.37 138.56 89.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.636 0.731 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.3 Cg_endo -69.74 151.55 69.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.36 151.53 21.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.426 HG23 ' H ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -65.53 -4.41 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.14 -83.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 85' ' ' ILE . 2.2 pp -74.62 141.24 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 111.121 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.9 m -130.87 150.83 77.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 148.22 64.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.28 64.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -39.55 6.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -84.87 139.79 31.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.05 146.16 9.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.86 64.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.2 m -111.22 -45.11 3.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.3 m -114.94 162.9 16.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 9.0 m -67.23 95.22 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.1 t -50.96 173.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 66.39 87.45 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.2 t -102.24 -52.08 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -92.31 94.38 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.48 -43.62 2.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.638 HD11 HG21 ' A' ' 66' ' ' VAL . 8.4 tp -96.79 -21.3 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -71.65 -64.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -50.94 -17.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 9.1 t80 -76.99 -46.59 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.6 tp -76.85 -49.83 14.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -53.96 -44.66 70.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.27 -45.6 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.446 ' NE1' HG22 ' A' ' 75' ' ' VAL . 68.0 t90 -57.24 -50.0 74.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 m -64.91 -44.72 88.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.63 -42.24 58.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -61.7 -20.04 63.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -105.9 26.65 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 52.41 42.24 31.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.1 mtm -121.59 157.33 31.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.2 m -134.17 101.59 12.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 132.6 23.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.311 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.47 134.76 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -117.25 103.84 10.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.34 148.33 26.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.732 HG21 ' HE3' ' A' ' 54' ' ' LYS . 84.2 mt -122.74 143.51 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -131.84 163.81 27.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.9 120.14 36.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.5 m -134.83 159.65 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.64 -177.67 21.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -94.25 163.85 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -45.21 -58.0 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -67.31 -33.2 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -111.72 71.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -79.65 146.94 32.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -140.51 157.4 45.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 23.3 m-85 -125.14 108.64 11.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.0 mtp -96.91 120.81 37.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.5 t -113.9 149.34 35.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -142.95 142.94 31.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.738 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 12.4 p -113.61 147.77 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -131.54 147.12 52.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.0 118.73 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -45.16 147.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.72 -41.57 3.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -96.13 144.82 26.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -91.12 -25.29 19.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -75.51 142.59 42.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -132.6 103.79 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' ALA . . . -35.1 135.56 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.464 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.0 ptm -121.25 137.5 54.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -154.18 137.43 5.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -127.51 146.19 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -174.83 131.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.1 p -41.31 -31.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.11 154.88 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.732 ' HE3' HG21 ' A' ' 23' ' ' ILE . 2.1 mmmm -79.43 -49.14 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -48.13 -51.87 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ALA . 11.4 t70 -64.78 -58.24 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ASP . . . -35.46 -46.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.09 -58.23 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -47.89 -36.86 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.66 -33.93 73.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.36 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -60.34 -54.05 50.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.51 -32.94 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -67.51 -61.61 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -49.21 -22.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 4' ' ' ILE . 96.7 t -73.14 -35.13 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.1 p30 -65.57 -34.86 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -72.2 -33.61 67.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.582 HD13 HG21 ' A' ' 75' ' ' VAL . 78.1 mt -62.04 -50.13 73.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.7 t -56.39 -36.64 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -62.81 -49.52 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.46 HD11 HD23 ' A' ' 69' ' ' LEU . 25.5 pt -71.14 -0.37 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 67.43 37.64 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -103.97 -23.38 13.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.582 HG21 HD13 ' A' ' 69' ' ' LEU . 92.8 t -137.1 138.94 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -90.45 130.38 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.6 p -53.04 -36.61 60.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -49.76 -25.31 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.99 -24.61 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.1 t -72.7 129.95 86.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 153.56 68.5 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.57 141.62 34.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -6.49 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.64 -110.03 2.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.32 140.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.52 146.23 60.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.616 0.722 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 158.62 56.22 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.67 166.83 26.15 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.744 2.296 . . . . 0.0 112.379 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -27.36 26.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.8 p -71.22 111.72 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.1 82.57 0.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.01 3.93 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.25 . . . . 0.0 112.324 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 94' ' ' SER . 2.2 m -68.64 93.92 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' SER . 32.1 p -34.7 124.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 66.7 p -96.67 102.11 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 62.2 p -82.72 124.45 30.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 144.12 -101.03 0.25 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.3 m -160.11 155.37 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -132.39 94.24 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.98 -160.14 22.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 1.075 HD11 HG21 ' A' ' 66' ' ' VAL . 5.8 tp -61.7 -28.84 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.951 0.405 . . . . 0.0 111.183 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -62.47 -39.07 92.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -70.11 -28.09 65.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -72.86 -62.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.1 tp -57.42 -52.31 65.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -46.75 -62.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.35 -47.25 72.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.455 ' NE1' HG22 ' A' ' 75' ' ' VAL . 67.5 t90 -57.59 -35.66 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.6 m -73.4 -47.83 38.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.19 -43.86 88.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -55.97 -29.81 60.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.428 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 16.6 mtp85 -98.06 19.57 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 tptm 59.34 43.88 16.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 69.8 mtm -132.69 150.85 52.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -126.12 119.43 23.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.567 0.698 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.43 30.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.53 115.22 29.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -106.33 129.55 54.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.48 131.57 27.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.478 HD13 ' HD2' ' A' ' 54' ' ' LYS . 67.9 mt -107.94 148.79 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -126.24 158.72 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.17 122.42 43.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.72 175.15 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.04 179.26 34.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 29' ' ' LYS . 24.5 m120 -83.85 147.71 27.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' ASN . 25.9 ttpt -37.94 -45.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -71.42 -47.19 57.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -99.87 93.93 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' THR . 18.5 tp60 -81.04 139.67 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -135.26 157.27 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -131.84 123.23 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mtt -107.4 104.86 14.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.1 t -98.99 136.02 39.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -133.91 136.2 44.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.7 144.64 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -132.85 148.64 52.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 91.7 t -140.97 116.97 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -46.61 140.67 4.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.58 -27.5 20.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -112.13 156.14 22.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -95.76 -40.52 9.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -65.92 145.02 56.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.14 114.2 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.143 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.26 139.61 4.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -124.0 129.75 51.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.97 136.77 8.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -128.7 133.19 48.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.369 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -172.07 145.11 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 32' ' ' GLN . 10.4 m -61.43 -28.35 69.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -94.09 148.1 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HD2' HD13 ' A' ' 23' ' ' ILE . 2.5 mmmm -74.74 -34.89 62.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -19.08 56.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -88.84 -33.62 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.35 -27.22 68.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -74.64 -53.64 8.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.7 t -53.52 -27.16 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -81.35 -33.55 32.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.42 -54.19 15.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -58.26 -48.8 79.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.473 ' N ' HG12 ' A' ' 4' ' ' ILE . 5.0 mmm180 -60.95 -20.92 62.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.475 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 40.3 t0 -77.29 -62.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -47.63 -29.15 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.075 HG21 HD11 ' A' ' 4' ' ' ILE . 82.7 t -60.85 -49.79 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 1.1 p30 -48.18 -32.38 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.472 ' CE1' HD13 ' A' ' 72' ' ' ILE . 34.6 t80 -79.19 -28.95 42.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 mt -68.91 -28.01 66.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.8 t -85.95 -42.14 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -60.17 -32.73 71.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 68' ' ' TYR . 23.5 pt -84.04 -5.1 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.8 t30 72.7 36.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -103.76 -26.25 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.455 HG22 ' NE1' ' A' ' 11' ' ' TRP . 96.0 t -135.65 140.95 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -92.06 131.19 37.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.8 p -56.26 -23.89 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.04 -24.76 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -93.36 -36.16 12.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 81' ' ' PRO . 97.4 t -62.87 138.66 97.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.73 156.44 63.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 169.02 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.87 108.79 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -110.63 -22.54 6.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 pt -104.48 138.29 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 m -112.0 152.86 44.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 111.158 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 168.77 20.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.744 2.296 . . . . 0.0 112.373 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 152.52 69.0 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -1.06 7.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -49.57 -53.37 24.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.59 -179.16 2.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 129.53 17.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.5 p -83.66 -49.45 9.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t -96.53 153.93 17.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.806 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 24.7 t -103.86 98.13 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.5 m -81.9 -57.51 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -71.74 143.87 35.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.433 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.9 p -42.34 147.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -96.33 136.1 37.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.83 -103.74 0.35 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.88 HD11 HG21 ' A' ' 66' ' ' VAL . 4.3 tp -95.98 -36.23 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 21' ' ' TYR . 1.8 tmtt? -47.53 -47.56 27.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -54.71 -32.75 60.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.552 ' CE1' ' HA ' ' A' ' 80' ' ' VAL . 74.4 t80 -67.09 -62.08 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 ' OH ' ' A' ' 21' ' ' TYR . 52.1 tp -56.44 -53.68 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.78 -68.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.43 -39.56 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.515 ' NE1' HG22 ' A' ' 75' ' ' VAL . 88.0 t90 -62.18 -48.37 80.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 m -64.59 -45.72 85.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.7 -41.9 43.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -60.59 -38.52 84.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 24.0 mtp85 -87.93 18.62 4.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 57.32 45.78 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 23.7 mtm -127.17 154.89 44.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 5.4 m -132.87 101.6 13.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.694 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.5 Cg_endo -69.76 133.94 26.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.17 139.54 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.5 ' OH ' HD23 ' A' ' 8' ' ' LEU . 83.5 m-85 -121.2 122.5 40.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -119.02 130.52 55.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.407 HD13 ' HE2' ' A' ' 54' ' ' LYS . 42.1 mt -110.08 135.75 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -121.57 161.18 22.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.93 122.57 47.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.4 m -142.33 174.53 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.06 164.36 28.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -67.82 160.89 27.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -46.05 -45.46 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -77.86 -46.46 21.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -93.48 90.54 6.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -91.78 140.67 29.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -135.49 158.82 43.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -126.64 115.64 19.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.9 mtt -99.25 110.82 23.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -103.27 140.94 36.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -137.06 146.42 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.4 p -127.41 146.35 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -139.1 147.83 42.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 74.1 t -139.63 123.25 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -45.44 136.08 5.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.76 -43.19 1.73 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -94.52 147.21 23.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -94.25 -37.46 11.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.27 138.1 55.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.76 134.56 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.54 133.83 38.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mmt -108.15 131.75 54.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.04 133.02 6.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -138.05 122.26 18.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -164.25 145.97 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -56.19 -32.06 64.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -106.76 157.57 17.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HE2' HD13 ' A' ' 23' ' ' ILE . 26.1 mtpt -70.21 -49.76 46.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -42.99 -60.94 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.69 -52.91 63.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.68 -56.58 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.98 -44.68 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.5 m -60.99 -42.4 98.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -59.7 -53.81 53.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.78 -58.95 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.604 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -56.32 -55.97 26.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -48.56 -29.71 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 15.2 t70 -70.93 -65.93 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -45.19 -37.12 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.88 HG21 HD11 ' A' ' 4' ' ' ILE . 94.0 t -54.35 -41.01 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.9 OUTLIER -63.98 -39.32 93.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.43 ' CE2' HD13 ' A' ' 72' ' ' ILE . 30.6 t80 -63.1 -43.76 97.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.662 HD23 HD11 ' A' ' 72' ' ' ILE . 56.2 mt -57.52 -51.51 69.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.1 t -53.06 -45.19 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.1 mmt-85 -58.03 -51.86 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.662 HD11 HD23 ' A' ' 69' ' ' LEU . 20.3 pt -69.55 -1.96 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 69.6 33.91 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' CA ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -93.14 -26.6 17.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.515 HG22 ' NE1' ' A' ' 11' ' ' TRP . 67.5 t -146.54 132.24 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.62 149.67 26.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 p -70.61 -26.85 63.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -54.45 -20.43 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -97.21 -29.45 13.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 81' ' ' PRO . 95.6 t -64.38 138.81 97.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.656 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.76 145.3 56.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.85 134.79 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.9 -6.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.3 -81.52 0.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.9 pt -85.24 154.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.59 81.05 39.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 111.117 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 149.82 67.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.97 22.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.383 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -26.21 28.08 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.1 p -49.29 177.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 170.28 -159.71 32.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.63 3.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.752 2.301 . . . . 0.0 112.319 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.0 m -152.06 164.68 36.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.9 p -64.18 107.54 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 79.3 p -88.53 -44.93 10.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.7 m -72.15 82.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -141.6 165.53 26.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m -64.45 -45.58 86.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -117.31 106.59 13.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -114.31 -168.41 16.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.894 HD11 HG21 ' A' ' 66' ' ' VAL . 7.2 tp -119.63 -30.96 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 111.139 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -64.19 -39.33 93.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.62 -22.49 56.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -81.21 -63.17 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 tp -50.49 -36.89 35.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -64.26 -49.05 73.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.7 92.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' NE1' HG22 ' A' ' 75' ' ' VAL . 85.4 t90 -71.36 -38.33 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 1.7 p -66.31 -41.51 89.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.437 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -53.72 -41.44 65.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -55.45 -33.96 64.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -96.45 7.4 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? 59.59 50.73 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.4 mtm -130.29 162.84 28.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.6 m -139.3 115.45 8.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.551 0.691 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.8 24.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.69 119.66 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -105.89 115.95 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -135.27 127.66 30.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.487 HD11 ' NE2' ' A' ' 58' ' ' GLN . 4.6 mp -104.81 132.72 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -104.86 160.39 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.61 121.37 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.53 172.63 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.23 172.19 33.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -74.59 160.06 31.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -52.53 -37.94 58.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -73.57 -49.34 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -102.19 95.88 6.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.54 142.56 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.01 157.03 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -126.24 123.25 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.3 mtp -105.78 107.76 18.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.528 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 8.5 t -98.3 127.34 44.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -133.68 124.99 27.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 3.7 p -106.2 132.94 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -118.33 141.28 48.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -131.97 119.37 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.22 139.79 10.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.9 -37.81 3.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.534 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -102.21 145.94 28.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -84.61 -40.62 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.88 148.72 49.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -134.45 119.23 18.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.54 118.73 5.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 ptm -111.35 140.43 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -146.42 136.93 6.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.8 133.97 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.0 m -165.0 171.03 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.41 -27.76 37.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -119.68 157.55 28.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -69.57 -42.99 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -43.67 -60.8 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.07 -54.51 32.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 36' ' ' CYS . . . -40.31 -42.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.487 ' NE2' HD11 ' A' ' 23' ' ' ILE . 22.9 mm-40 -61.07 -47.37 86.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -59.13 -43.62 92.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -58.75 -48.78 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.22 -64.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -47.21 -51.13 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -54.98 -40.47 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.494 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 5.9 t0 -59.58 -58.27 9.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -52.77 -42.35 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.894 HG21 HD11 ' A' ' 4' ' ' ILE . 83.9 t -48.67 -52.82 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.7 OUTLIER -58.01 -43.69 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.489 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 37.7 t80 -56.72 -33.53 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' A' ' 75' ' ' VAL . 32.8 mt -69.67 -43.55 72.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.15 -33.33 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -66.23 -41.39 90.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.449 HG13 ' CG ' ' A' ' 74' ' ' GLU . 12.3 pt -84.38 15.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 73' ' ' ASN . 0.5 OUTLIER 55.97 40.29 30.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CG ' HG13 ' A' ' 72' ' ' ILE . 6.0 mm-40 -105.13 -23.27 12.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.527 HG23 ' HB3' ' A' ' 69' ' ' LEU . 74.7 t -137.17 140.85 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -92.96 128.09 38.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.3 p -51.43 -31.25 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -51.72 -28.54 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -91.12 -26.46 19.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 81' ' ' PRO . 84.9 t -69.81 138.67 88.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 80' ' ' VAL . 54.1 Cg_endo -69.73 169.13 19.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.39 136.3 35.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -98.09 110.24 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.53 -65.32 0.45 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.575 HD12 ' H ' ' A' ' 85' ' ' ILE . 3.9 mp -73.95 139.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.642 HG23 ' HD2' ' A' ' 87' ' ' PRO . 4.6 p -171.55 138.69 1.1 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.5 Cg_endo -69.78 154.47 67.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 144.12 52.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 163.29 38.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.5 p -174.76 159.95 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.72 151.06 6.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 102.08 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.7 m -80.39 161.96 24.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 t -37.87 -45.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 59.9 p -81.0 139.21 35.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 65.1 p -139.65 131.18 27.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -103.31 -141.98 11.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 2' ' ' SER . 70.6 m -55.9 112.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.825 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 1' ' ' SER . 1.2 t -35.84 141.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.41 147.22 12.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.856 HD11 HG21 ' A' ' 66' ' ' VAL . 8.8 tp -90.78 -35.84 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' CD ' ' H ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -56.22 -58.45 7.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -46.64 -36.69 7.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -65.52 -67.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.1 tp -47.27 -48.08 24.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -51.61 -54.03 32.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.09 75.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.47 ' NE1' HG22 ' A' ' 75' ' ' VAL . 90.3 t90 -53.74 -42.41 68.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -79.47 -23.7 42.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.24 -22.06 76.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -90.82 -32.29 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.8 mtt-85 -85.53 26.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.74 47.01 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.5 mtm -133.53 157.45 45.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 m -134.73 110.86 11.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 147.99 63.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.87 125.89 42.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -109.79 144.08 38.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -139.93 120.1 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.3 mt -99.23 134.66 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -120.97 166.67 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.54 117.81 31.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.496 HG21 ' HG3' ' A' ' 35' ' ' MET . 2.0 m -135.48 172.04 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.32 -164.51 20.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -104.89 168.14 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -50.96 -53.9 28.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -64.95 -48.45 74.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -99.75 92.46 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -89.45 135.64 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -134.55 164.88 26.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.31 139.6 45.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.496 ' HG3' HG21 ' A' ' 26' ' ' VAL . 7.2 mtp -115.72 116.98 29.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.7 t -109.95 123.94 50.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -123.36 129.36 51.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.1 p -106.46 136.31 41.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -127.49 144.91 51.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.8 t -136.03 121.88 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -48.37 153.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.3 -45.56 2.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.442 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -90.51 158.37 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -98.62 -38.37 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -63.69 153.26 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.73 114.55 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.49 123.72 31.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 mtt -110.28 131.3 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.12 152.63 20.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -144.85 133.3 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.465 ' HB2' ' CA ' ' A' ' 57' ' ' ALA . 3.1 m -169.62 136.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.7 p -49.63 -28.1 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -114.99 142.07 47.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 55' ' ' LYS . 51.9 mttt -56.29 -58.32 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 54' ' ' LYS . 15.5 tptp -34.31 -61.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.94 -55.28 36.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.465 ' CA ' ' HB2' ' A' ' 51' ' ' SER . . . -40.69 -52.49 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.407 ' HB3' HE21 ' A' ' 58' ' ' GLN . 3.0 mm100 -55.23 -42.7 73.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.493 ' O ' HG21 ' A' ' 4' ' ' ILE . 20.1 m -62.81 -39.68 95.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -65.08 -49.73 68.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.64 -59.76 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -54.95 -62.95 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' ALA . 4.5 ttp180 -35.9 -45.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -58.91 -61.48 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -51.99 -38.88 58.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.856 HG21 HD11 ' A' ' 4' ' ' ILE . 59.0 t -52.13 -44.56 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.55 -47.69 84.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -53.07 -41.1 64.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.698 HD13 HG21 ' A' ' 75' ' ' VAL . 51.2 mt -58.36 -53.23 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 75' ' ' VAL . 99.2 t -56.38 -37.61 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -62.48 -41.99 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.434 ' CG1' ' OE2' ' A' ' 74' ' ' GLU . 26.7 pt -83.72 -0.76 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m120 72.13 39.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.434 ' OE2' ' CG1' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -103.15 -27.19 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.698 HG21 HD13 ' A' ' 69' ' ' LEU . 97.8 t -137.86 133.17 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -87.32 132.34 33.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.2 p -52.17 -31.86 33.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -54.41 -24.12 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.51 -35.59 15.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.423 HG13 ' HD2' ' A' ' 81' ' ' PRO . 95.3 t -63.44 133.0 95.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.73 147.24 62.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.8 138.75 34.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.067 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -6.64 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.069 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.29 -83.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.502 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.3 pt -76.32 153.09 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.9 m -102.65 149.43 36.74 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.632 0.729 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 148.25 64.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.635 2.224 . . . . 0.0 112.355 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 154.63 67.5 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -23.17 31.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 52.5 p -79.56 111.67 16.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.66 147.14 11.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 170.24 17.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.632 2.221 . . . . 0.0 112.332 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.4 p -86.05 166.2 16.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 p -56.88 162.51 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 52.0 p -117.05 122.01 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 17.3 t -61.75 -49.69 75.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 154.75 -149.96 21.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m -140.48 115.84 9.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -107.03 140.17 40.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.87 -159.92 33.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.4 tp -73.13 -20.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HE3' ' CZ ' ' A' ' 21' ' ' TYR . 8.0 tptm -75.56 -55.49 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -47.91 -27.92 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -70.33 -64.25 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.07 -54.96 16.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -49.27 -59.25 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.93 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.47 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 76.0 t90 -55.27 -54.03 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' SG ' ' CB ' ' A' ' 17' ' ' MET . 1.8 t -56.84 -41.88 78.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.77 -39.11 93.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -60.25 -31.25 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 29.7 mtp180 -92.61 17.42 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp 59.85 44.02 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.405 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 71.0 mtm -129.68 163.49 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 10.8 m -139.71 108.3 7.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.57 0.7 . . . . 0.0 111.159 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.8 Cg_endo -69.77 133.41 25.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.16 141.4 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.408 ' CZ ' ' HE3' ' A' ' 5' ' ' LYS . 66.8 m-85 -122.45 126.55 48.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -120.72 118.71 30.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.4 mt -101.98 123.02 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -109.84 162.75 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.26 120.76 38.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -149.0 150.36 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.24 166.66 12.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -63.51 172.5 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -76.42 -3.4 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -100.46 -53.41 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -116.26 76.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.93 154.56 29.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -129.61 158.92 37.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -133.58 111.97 11.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.9 mtp -94.92 109.82 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.3 t -102.28 121.61 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -119.96 145.52 46.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.4 p -124.14 145.42 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -133.65 146.64 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -138.07 124.29 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -49.22 142.35 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.14 -39.69 2.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -95.8 148.31 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -92.67 -34.4 13.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -67.64 147.54 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.38 114.56 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.16 135.21 17.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.2 mtp -131.29 130.42 42.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -145.14 134.97 5.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -113.69 136.3 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -166.01 140.48 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.2 p -61.06 -22.99 65.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -107.62 140.31 40.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -61.8 -51.95 66.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -50.35 -54.11 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' ALA . 24.7 t0 -57.65 -59.4 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ASP . . . -36.97 -46.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -57.29 -58.14 9.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 m -45.72 -38.58 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -69.61 -47.66 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.9 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -59.37 -60.67 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -48.8 -44.41 39.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.85 -55.41 20.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.13 -40.69 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 62' ' ' ALA . 64.9 t -49.75 -45.67 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -55.0 -29.73 57.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.434 ' O ' HG23 ' A' ' 72' ' ' ILE . 33.5 t80 -79.48 -28.28 41.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 24.0 mt -71.4 -29.01 64.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.8 t -84.7 -38.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -62.93 -35.08 78.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 68' ' ' TYR . 37.3 pt -80.99 -5.16 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 71.68 42.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -111.0 -28.4 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.442 HG22 ' NE1' ' A' ' 11' ' ' TRP . 77.1 t -130.75 130.31 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -83.84 126.81 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t -49.52 -26.88 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -55.07 -32.57 62.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.2 -30.33 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.1 t -64.68 131.38 95.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 152.04 69.1 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.381 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.67 134.94 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -5.77 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.04 -93.77 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.8 pt -90.54 149.85 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.646 HG13 ' HD2' ' A' ' 87' ' ' PRO . 93.2 t -108.02 138.51 20.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 111.147 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.646 ' HD2' HG13 ' A' ' 86' ' ' VAL . 53.7 Cg_endo -69.77 164.91 32.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.353 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 160.69 48.76 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -43.64 2.51 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.0 t -104.14 141.43 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 171.22 -163.26 36.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.16 11.82 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m 47.28 30.49 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 13.0 t -111.81 -35.56 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 52.5 p -75.58 115.35 15.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 40.8 t -145.32 107.17 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 169.48 60.86 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.2 t -145.28 145.83 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -122.69 163.73 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 105.52 -128.6 9.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.625 HG23 ' N ' ' A' ' 5' ' ' LYS . 8.0 tp -105.99 -51.88 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.625 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -36.49 -60.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -43.47 -38.7 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 4' ' ' ILE . 66.0 t80 -62.71 -66.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 tp -48.03 -54.7 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -47.58 -62.08 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.84 57.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.488 ' NE1' HG22 ' A' ' 75' ' ' VAL . 77.3 t90 -54.53 -48.66 71.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 11.8 m -63.16 -50.67 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.53 -45.96 46.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -53.95 -30.26 46.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.727 0.299 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -97.86 21.54 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.2 mttt 55.76 39.0 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.2 mtm -123.51 162.87 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 m -138.25 111.25 8.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 12' ' ' CYS . 53.7 Cg_endo -69.78 131.82 21.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.61 124.23 39.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -110.11 126.88 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -134.58 141.38 46.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 65.8 mt -118.59 142.72 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -129.79 167.99 17.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.28 128.58 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.14 175.71 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.0 -161.31 30.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -107.27 171.76 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -63.87 -26.12 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -75.41 -45.85 36.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -116.03 86.95 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.94 140.16 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.03 156.12 48.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.463 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 24.0 m-85 -129.5 108.95 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.4 mtp -93.58 132.62 37.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -127.45 142.82 51.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -138.45 134.48 34.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 38' ' ' VAL . 14.5 p -116.51 124.51 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -114.58 148.59 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.0 t -136.28 113.78 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -43.4 130.08 5.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.61 -43.74 1.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -94.73 151.75 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.893 0.377 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -89.25 -42.37 11.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -67.38 137.08 55.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.47 107.67 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.67 133.87 2.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.429 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -129.9 153.08 48.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -155.44 140.97 7.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -128.15 117.53 21.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 m -152.1 167.01 29.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -78.49 -35.15 46.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -93.75 143.32 26.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 76.2 mttt -66.02 -47.68 73.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -53.11 -57.32 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -55.4 -58.05 9.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.71 -54.72 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -54.17 -43.82 70.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.3 t -62.25 -40.69 97.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -60.81 -45.96 92.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.87 53.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.053 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -60.17 -48.82 80.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -31.95 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.97 -63.71 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -44.48 -34.36 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 62' ' ' ALA . 92.7 t -55.67 -46.45 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -58.82 -36.16 74.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -67.6 -34.0 76.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD13 HG21 ' A' ' 75' ' ' VAL . 52.5 mt -64.65 -49.24 71.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.3 t -56.19 -42.97 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.7 mmt-85 -56.95 -52.54 64.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.505 HD11 HD23 ' A' ' 69' ' ' LEU . 26.1 pt -70.67 -0.63 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 68.08 42.28 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -106.56 -16.78 14.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.566 HG21 HD13 ' A' ' 69' ' ' LEU . 88.0 t -141.92 141.47 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -91.08 126.47 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 p -50.12 -32.03 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -53.23 -29.75 34.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -87.28 -36.63 17.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.82 131.45 94.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.678 0.752 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.25 19.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.01 157.09 18.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -6.75 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.32 -118.95 4.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.432 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.0 mt -76.07 142.55 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.114 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.3 t -113.33 80.82 4.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.728 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 164.75 33.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.36 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 165.76 29.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.6 18.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m -59.79 119.6 7.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 154.99 164.29 12.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 1.4 4.48 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.718 2.278 . . . . 0.0 112.362 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.8 p -58.75 166.84 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.4 t -40.96 -60.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.499 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.597 HD11 HG21 ' A' ' 66' ' ' VAL . 9.9 tp . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.906 0.384 . . . . 0.0 111.187 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -69.25 -51.14 40.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -58.29 -24.19 58.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.631 ' HZ ' HG11 ' A' ' 75' ' ' VAL . 10.0 t80 -68.5 -56.78 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.55 -51.19 70.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -56.11 -38.03 70.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.04 76.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.721 ' NE1' HG22 ' A' ' 75' ' ' VAL . 90.1 t90 -70.11 -36.38 74.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 1.3 p -76.01 -41.83 49.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.452 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -52.04 -44.44 56.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -68.07 -35.21 77.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.572 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 13.7 mtp85 -85.9 18.07 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm 49.21 49.08 20.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.8 mtm -134.4 160.06 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.6 m -142.62 118.88 6.84 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 144.13 52.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.68 117.45 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.529 ' CD2' ' OE1' ' A' ' 58' ' ' GLN . 14.6 m-85 -100.28 137.95 38.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -137.67 120.75 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mt -92.11 143.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -132.56 161.18 34.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.86 126.2 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.6 m -149.26 173.7 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.53 -156.23 19.41 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -107.69 178.52 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -67.96 -53.64 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -57.23 -47.75 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 mmt-85 -117.19 108.3 15.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -96.87 158.99 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -143.08 158.77 43.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -126.98 104.4 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.0 mtt -88.05 127.24 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.9 t -117.17 130.2 56.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -121.57 126.83 50.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.4 p -107.86 130.5 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 12.9 mtp-105 -121.72 145.15 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.6 t -133.37 115.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -45.77 139.34 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.36 -34.12 5.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -105.69 155.0 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -93.8 -42.4 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 47.1 t80 -61.89 149.41 40.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.56 123.14 24.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.0 127.43 44.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.8 ptm -109.5 130.02 55.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.27 134.09 7.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -127.38 132.33 50.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m -173.57 136.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.9 m -53.09 -29.64 31.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -101.16 151.03 22.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -72.74 -47.44 46.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -50.78 -48.28 59.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.51 -52.82 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.91 -44.14 6.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.529 ' OE1' ' CD2' ' A' ' 21' ' ' TYR . 34.5 mm-40 -61.45 -52.09 65.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.5 m -56.42 -44.44 80.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -59.06 -53.0 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.88 -52.46 6.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.26 -63.49 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.31 -39.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.05 -58.06 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -53.66 -40.22 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 4' ' ' ILE . 66.2 t -53.0 -48.92 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -56.33 -44.65 80.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.481 ' CE2' HD13 ' A' ' 72' ' ' ILE . 25.3 t80 -57.66 -43.65 85.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 72' ' ' ILE . 47.7 mt -55.64 -51.86 65.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.13 -43.54 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 4.9 mmm180 -60.94 -52.43 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.645 HD11 HD23 ' A' ' 69' ' ' LEU . 19.0 pt -67.31 -3.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.449 ' C ' ' OE1' ' A' ' 74' ' ' GLU . 2.6 m-80 71.18 35.18 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -94.72 -33.19 13.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.721 HG22 ' NE1' ' A' ' 11' ' ' TRP . 93.8 t -135.76 140.48 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -91.09 138.59 31.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.6 p -53.89 -31.56 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -47.83 -28.32 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -88.9 -31.69 18.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.668 HG13 ' HD2' ' A' ' 81' ' ' PRO . 87.1 t -65.11 138.75 97.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.668 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.883 0.373 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.511 ' HE2' ' CZ ' ' A' ' 21' ' ' TYR . 10.9 tmtt? -56.61 -51.37 68.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -56.56 -37.33 70.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.04 -59.89 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.9 -61.74 2.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -39.96 -56.18 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.59 -56.54 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.541 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 88.8 t90 -47.3 -55.89 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' SG ' ' CB ' ' A' ' 17' ' ' MET . 1.8 t -56.02 -43.93 78.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.75 -38.88 97.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -58.4 -30.3 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.304 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.541 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 6.2 mtp-105 -96.36 19.65 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 61.38 49.94 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 25.6 mtm -134.09 161.06 35.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.3 m -139.9 104.94 6.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 145.49 57.57 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.02 143.28 35.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.511 ' CZ ' ' HE2' ' A' ' 5' ' ' LYS . 65.6 m-85 -124.37 129.06 50.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -143.01 122.91 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 24' ' ' ARG . 5.3 mp -98.1 151.7 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.4 ' N ' HG22 ' A' ' 23' ' ' ILE . 24.2 ttt180 -127.92 161.11 29.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.82 122.57 46.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 m -137.25 173.99 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.49 153.64 15.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -63.31 161.82 13.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -43.65 -49.54 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -62.53 -53.04 60.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -97.09 86.98 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -91.07 141.76 28.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -141.52 162.71 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -126.16 114.67 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.9 mtp -98.43 118.6 35.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.3 t -113.05 134.95 54.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -132.13 146.19 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.81 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 7.1 p -121.14 149.37 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 13.6 mtp-105 -137.8 137.78 38.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.09 123.52 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -48.36 144.99 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.96 -41.66 2.49 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -97.14 161.3 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -102.08 -46.7 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.92 145.73 51.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -132.88 125.69 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.08 132.18 45.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.462 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -124.09 140.87 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.05 133.47 5.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.539 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -114.54 121.42 43.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -150.4 170.61 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.2 p -86.8 -23.23 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -111.26 143.66 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -55.13 -54.62 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -53.62 -55.23 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -50.16 -55.7 14.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.08 -44.78 52.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -56.9 -47.49 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -56.03 -43.65 78.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -64.11 -51.32 64.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.42 -54.77 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.21 -58.02 9.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -43.34 -57.09 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -43.38 -54.56 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.21 -50.92 69.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.6 t -42.41 -48.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -52.83 -37.96 60.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.433 ' CE1' HD13 ' A' ' 72' ' ' ILE . 28.3 t80 -72.42 -30.95 65.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 mt -71.76 -26.83 62.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.962 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 75' ' ' VAL . 87.3 t -87.35 -37.47 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -64.36 -31.8 73.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.433 HD13 ' CE1' ' A' ' 68' ' ' TYR . 16.6 pt -85.51 -0.15 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.3 t30 70.69 37.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -105.02 -23.52 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.418 ' O ' HG22 ' A' ' 70' ' ' VAL . 95.7 t -139.82 134.43 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -88.42 127.1 35.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -47.56 -37.63 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.11 -33.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -85.26 -35.54 21.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.442 HG13 ' HD2' ' A' ' 81' ' ' PRO . 87.8 t -63.15 133.12 95.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.623 0.725 . . . . 0.0 111.129 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.537 HD11 HG21 ' A' ' 66' ' ' VAL . 6.3 tp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.917 0.389 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -55.61 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -48.74 -40.49 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.49 ' CE2' HG22 ' A' ' 80' ' ' VAL . 80.7 t80 -56.79 -57.06 14.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.45 -57.3 13.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -47.55 -56.73 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.66 77.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.551 ' NE1' HG22 ' A' ' 75' ' ' VAL . 89.8 t90 -51.59 -54.15 30.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -59.75 -50.76 72.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.08 -43.91 13.67 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -63.66 -32.79 74.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mtp85 -92.42 29.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.57 40.89 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.7 mtm -124.5 155.89 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.422 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 23.2 m -134.92 101.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.169 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.5 Cg_endo -69.81 132.37 23.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.3 143.92 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -125.54 117.59 23.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -122.31 122.76 39.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.434 HD11 ' CG ' ' A' ' 58' ' ' GLN . 21.1 mt -107.75 128.14 63.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -111.04 158.94 18.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.42 130.86 52.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.625 HG23 ' HB3' ' A' ' 33' ' ' LYS . 12.2 m -143.08 174.9 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.37 151.29 27.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -76.68 160.64 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -25.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' ' 31' ' ' ARG . 4.1 t30 -74.97 -53.8 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HG2' ' ND2' ' A' ' 30' ' ' ASN . 28.3 mmm-85 -117.04 107.26 14.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? -90.03 139.74 30.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.625 ' HB3' HG23 ' A' ' 26' ' ' VAL . 28.1 tptt -145.23 155.2 43.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -125.65 137.95 53.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 73.0 mtp -116.74 113.25 22.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.4 t -105.41 127.91 53.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -123.21 136.6 54.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 p -115.57 144.67 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 14.6 mtp-105 -138.44 140.79 39.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.9 t -125.49 124.27 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -47.34 137.04 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.01 -42.82 1.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -96.29 143.56 27.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -84.76 -42.35 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -63.38 148.37 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.466 ' HB2' ' HG2' ' A' ' 39' ' ' ARG . . . -130.88 139.66 50.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.0 131.89 14.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -113.56 131.34 56.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.97 132.39 5.7 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -119.06 144.98 46.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -174.15 149.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -65.25 -32.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -110.22 127.61 55.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -46.42 -52.94 12.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -41.82 -55.27 3.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.11 -47.03 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.91 -54.34 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.434 ' CG ' HD11 ' A' ' 23' ' ' ILE . 49.2 mt-30 -48.6 -46.49 39.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 m -60.08 -44.35 94.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -59.5 -52.29 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.83 -57.7 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.22 -50.12 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -49.39 -53.6 21.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -49.32 -49.78 42.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' VAL . 48.2 t80 -56.03 -55.67 30.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 4' ' ' ILE . 99.5 t -35.81 -51.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -47.49 -47.05 27.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.58 ' CE1' HD13 ' A' ' 72' ' ' ILE . 14.7 t80 -63.59 -38.35 90.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.518 HD23 HD11 ' A' ' 72' ' ' ILE . 29.9 mt -60.14 -41.62 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.1 t -68.74 -41.32 82.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -59.85 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.58 HD13 ' CE1' ' A' ' 68' ' ' TYR . 25.2 pt -65.61 -9.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m120 74.12 42.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -107.1 -44.08 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.551 HG22 ' NE1' ' A' ' 11' ' ' TRP . 93.9 t -117.28 128.19 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -81.23 126.95 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.3 p -46.12 -35.8 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -44.64 -34.54 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.13 -37.58 18.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.659 HG13 ' HD2' ' A' ' 81' ' ' PRO . 99.3 t -64.81 138.9 97.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.659 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.58 HD11 HG21 ' A' ' 66' ' ' VAL . 3.1 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.92 0.391 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -29.44 69.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -70.73 -17.31 62.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -86.61 -61.49 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.6 tp -49.2 -49.27 43.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -51.25 -54.03 29.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -52.99 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.423 ' NE1' HG22 ' A' ' 75' ' ' VAL . 85.0 t90 -49.4 -50.81 38.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -76.91 -17.48 58.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.31 -30.4 56.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -85.45 -29.54 24.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.732 0.301 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -84.0 19.84 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm 57.18 48.04 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.424 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 54.0 mtm -132.9 159.68 39.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.9 m -136.73 105.06 9.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 126.92 13.79 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.269 . . . . 0.0 112.284 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.95 124.74 39.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -108.06 130.13 55.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -138.28 141.07 39.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.427 HD13 ' HB3' ' A' ' 54' ' ' LYS . 79.8 mt -120.28 143.22 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -124.93 167.95 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.62 125.88 49.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 33' ' ' LYS . 2.6 m -143.75 167.03 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.42 167.34 25.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.25 177.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -63.32 -43.87 96.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.55 -47.46 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -90.28 87.38 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.456 ' O ' HG23 ' A' ' 52' ' ' THR . 18.8 tp60 -86.89 141.83 28.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HB3' HG23 ' A' ' 26' ' ' VAL . 11.3 tptm -137.37 156.12 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -129.9 124.27 32.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.0 mtm -109.44 138.71 45.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -125.13 148.82 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -147.17 123.81 11.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.51 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 7.8 p -107.63 133.13 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -123.67 134.36 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.424 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 67.4 t -121.44 118.3 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -45.91 123.04 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.45 -38.33 3.07 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -99.99 157.04 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -97.25 -39.81 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -70.93 142.95 51.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -131.99 123.04 26.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.53 118.23 4.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.8 mtp -107.8 119.99 40.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.347 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -129.17 146.08 16.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' ND2' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -137.95 133.95 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.85 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -167.81 133.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 32' ' ' GLN . 26.8 m -40.48 -33.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -102.98 152.43 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HB3' HD13 ' A' ' 23' ' ' ILE . 69.5 mttt -68.74 -50.54 49.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 55' ' ' LYS . 12.7 tmtt? -44.73 -63.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -54.45 29.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.49 -35.53 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -74.48 -38.68 62.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -69.09 -28.4 66.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.59 -46.88 29.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.71 -43.73 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.516 ' HB3' HG23 ' A' ' 4' ' ' ILE . . . -67.37 -31.51 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HG2' HG21 ' A' ' 4' ' ' ILE . 7.4 mmt85 -74.15 -47.9 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -51.59 -58.78 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.521 ' CE2' HD11 ' A' ' 69' ' ' LEU . 43.8 t80 -45.47 -57.32 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.58 HG21 HD11 ' A' ' 4' ' ' ILE . 31.7 t -43.53 -53.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -48.87 -38.02 21.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.575 ' CZ ' HG21 ' A' ' 72' ' ' ILE . 20.4 t80 -74.62 -38.48 62.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.686 HD13 HG21 ' A' ' 75' ' ' VAL . 37.5 mt -57.21 -40.2 76.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.95 -39.94 82.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -60.92 -47.43 86.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.575 HG21 ' CZ ' ' A' ' 68' ' ' TYR . 27.7 pt -71.13 -4.24 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 22.4 t30 69.72 43.46 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -112.67 -23.0 10.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.686 HG21 HD13 ' A' ' 69' ' ' LEU . 69.1 t -133.14 128.74 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -83.77 134.2 34.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.2 p -57.34 -22.12 40.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.85 -27.76 63.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -92.81 -35.96 13.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 81' ' ' PRO . 85.8 t -61.99 138.69 95.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 111.103 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 66' ' ' VAL . 6.6 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.885 0.374 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 21' ' ' TYR . 2.5 mmmp? -60.32 -38.73 84.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -62.29 -13.31 27.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -92.2 -58.61 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.53 -34.95 78.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -62.36 -59.74 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.53 -49.88 74.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.46 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 82.1 t90 -47.14 -53.4 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.74 -40.31 79.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.36 -44.36 97.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -55.77 -35.97 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.46 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 26.2 mtp85 -88.24 13.13 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.0 tttt 65.61 47.32 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.3 mtm -142.51 156.82 45.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -136.29 124.29 14.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.165 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 147.76 63.66 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.71 116.95 26.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.494 ' CZ ' ' HE2' ' A' ' 5' ' ' LYS . 34.4 m-85 -102.49 144.58 30.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -143.69 115.37 8.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 55.3 mt -88.02 137.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -125.39 157.53 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.96 128.93 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -147.56 175.64 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.84 168.36 40.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -77.92 165.57 23.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -45.14 -55.38 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -68.63 -50.6 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -96.43 86.0 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -96.9 151.26 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -145.82 158.63 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -127.18 124.78 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtt -106.75 143.07 35.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 t -138.27 121.86 17.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' HB1' ' A' ' 46' ' ' ALA . 21.8 tt0 -115.78 141.76 47.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 38' ' ' VAL . 9.9 p -120.48 120.73 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.71 142.28 41.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.0 t -127.6 132.6 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -51.8 141.37 17.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.82 -29.64 6.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -107.48 149.41 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.27 -34.98 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -67.88 148.31 51.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' HG2' ' A' ' 37' ' ' GLU . . . -134.91 120.66 19.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.54 113.75 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.5 mtp -94.2 122.32 36.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.44 138.27 9.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.25 126.62 20.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -161.03 145.56 13.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 m -52.57 -26.87 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.135 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -95.15 154.78 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -83.11 -30.75 27.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -35.19 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -69.22 -52.08 31.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -66.52 -52.36 46.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -54.93 -40.92 70.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -64.25 -41.55 96.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.54 -58.51 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.67 -63.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -42.42 -51.88 4.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -51.07 -44.47 61.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.81 -55.0 38.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.657 HG21 HD11 ' A' ' 4' ' ' ILE . 97.4 t -40.71 -47.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -54.11 -39.57 66.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CE2' HD13 ' A' ' 72' ' ' ILE . 22.1 t80 -69.76 -37.1 76.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.441 HD23 HD11 ' A' ' 72' ' ' ILE . 29.6 mt -59.15 -47.57 84.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 75' ' ' VAL . 85.9 t -61.69 -42.12 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -57.82 -46.48 84.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.525 HD13 ' CE2' ' A' ' 68' ' ' TYR . 39.7 pt -75.08 1.95 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m120 66.05 42.0 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -105.79 -25.27 12.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' HG22 ' A' ' 70' ' ' VAL . 98.9 t -140.41 130.89 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -82.91 137.1 34.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.3 p -56.76 -26.67 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -56.85 -13.51 2.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -102.93 -35.07 8.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 81' ' ' PRO . 98.3 t -62.89 138.81 97.24 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.572 0.701 . . . . 0.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 80' ' ' VAL . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.157 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.458 HD11 HG21 ' A' ' 66' ' ' VAL . 9.0 tp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -40.96 96.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -69.93 -28.62 65.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -64.82 -57.23 9.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.473 HD23 ' OH ' ' A' ' 21' ' ' TYR . 60.0 tp -60.43 -58.19 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -44.16 -56.37 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.57 -54.29 45.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 84.6 t90 -47.9 -59.26 3.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.78 -52.8 55.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.14 -45.21 43.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -58.52 -28.69 65.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 25.9 mtp85 -99.58 22.81 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tptt 57.64 50.09 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.3 mtm -132.71 151.94 51.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.43 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 16.7 m -133.9 101.59 12.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.65 0.738 . . . . 0.0 111.168 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 54.1 Cg_endo -69.72 138.85 38.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.73 128.6 55.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.473 ' OH ' HD23 ' A' ' 8' ' ' LEU . 57.5 m-85 -107.67 139.95 41.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -138.28 118.02 13.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 54' ' ' LYS . 77.6 mt -96.74 119.96 45.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -102.39 164.72 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.78 117.4 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.35 175.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.42 -165.34 13.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -103.98 152.8 21.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -22.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -89.32 -53.91 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -103.15 95.16 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -72.25 140.87 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -134.78 154.65 51.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -131.07 123.88 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 38.4 mtt -104.94 124.93 50.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.8 t -104.95 143.23 33.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -140.68 129.03 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.525 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 11.8 p -120.17 124.63 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.532 ' HD3' ' HB2' ' A' ' 46' ' ' ALA . 14.8 mmt85 -114.59 148.48 37.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -140.74 121.93 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -43.49 148.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.52 -43.06 2.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -97.23 157.25 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.34 -40.92 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -70.96 147.54 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.532 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . . . -131.7 141.99 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.09 107.71 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.8 mtp -96.55 131.59 43.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.38 138.7 9.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -127.64 131.24 49.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -167.08 146.4 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.2 p -56.42 -25.6 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -110.97 162.05 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HB3' HD13 ' A' ' 23' ' ' ILE . 34.0 mttt -79.62 -51.97 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -43.87 -59.11 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.59 -54.72 43.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.37 -42.94 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -60.13 -46.77 88.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.7 m -56.51 -45.28 81.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -57.54 -50.33 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.15 -61.0 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.804 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -49.42 -62.67 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -44.71 -50.75 9.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -68.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -45.58 -45.07 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 62' ' ' ALA . 66.3 t -51.26 -43.52 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.11 -38.79 80.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CZ ' HG21 ' A' ' 72' ' ' ILE . 34.1 t80 -64.26 -34.8 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.579 HD13 HG21 ' A' ' 75' ' ' VAL . 62.0 mt -60.27 -45.8 92.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -62.12 -40.31 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -61.54 -43.9 98.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.504 HG21 ' CZ ' ' A' ' 68' ' ' TYR . 40.7 pt -77.89 -0.58 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 67.31 47.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -113.49 -21.27 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.579 HG21 HD13 ' A' ' 69' ' ' LEU . 96.8 t -139.53 142.03 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -91.32 136.29 33.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 p -59.67 -24.88 64.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.35 -18.02 56.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -99.01 -34.21 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.673 HG13 ' HD2' ' A' ' 81' ' ' PRO . 98.8 t -68.48 138.92 91.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.673 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.67 HD11 HG21 ' A' ' 66' ' ' VAL . 9.3 tp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.903 0.382 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -66.05 -40.27 90.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -71.27 -20.76 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.88 -60.19 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.41 HD23 ' OH ' ' A' ' 21' ' ' TYR . 54.4 tp -54.8 -48.87 72.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -52.74 -60.95 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.07 63.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -52.08 -49.23 63.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 m -64.5 -48.36 75.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.81 -42.92 29.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -57.73 -38.29 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.297 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -87.68 27.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tptt 53.36 39.16 29.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.448 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 32.0 mtm -120.16 156.14 31.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.413 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 40.3 m -134.64 101.54 11.82 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 111.164 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.9 Cg_endo -69.71 135.96 31.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.25 128.7 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' OH ' HD23 ' A' ' 8' ' ' LEU . 55.2 m-85 -108.48 131.09 55.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -130.19 155.26 46.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.5 HD13 ' HG2' ' A' ' 54' ' ' LYS . 84.6 mt -129.8 139.56 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -130.92 157.49 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.55 130.6 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.22 171.38 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.63 -166.83 34.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -107.53 157.99 17.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -42.6 -46.67 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -63.22 -51.49 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.91 80.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -67.52 132.42 47.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -137.02 155.9 49.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -130.22 134.65 47.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.7 mtt -117.7 118.67 32.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -108.42 141.33 40.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.4 mp0 -136.53 131.93 34.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 47' ' ' GLY . 2.5 p -117.24 131.34 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -119.69 148.42 43.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 73.3 t -137.38 116.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -43.83 134.9 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.41 -40.26 2.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -98.14 159.17 15.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -97.41 -42.13 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -71.83 148.51 46.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -130.28 133.69 46.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.493 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -62.07 100.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.8 ptm -105.91 123.87 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.52 134.13 6.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -111.91 137.21 50.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.2 m -162.5 138.78 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.9 p -46.46 -38.94 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 6.5 p-10 -108.95 153.05 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.5 ' HG2' HD13 ' A' ' 23' ' ' ILE . 4.2 mtmp? -64.33 -49.7 70.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -38.35 -65.53 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -56.56 -50.8 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.79 -57.13 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 54' ' ' LYS . 2.8 mp0 -54.85 -38.79 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -67.08 -35.3 79.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -72.88 -38.05 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.92 -56.42 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.777 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -55.32 -56.79 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -51.49 -47.98 63.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.86 -59.76 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -55.55 -45.54 77.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 62' ' ' ALA . 65.0 t -47.13 -39.16 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -64.87 -34.08 77.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.69 -31.98 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.47 HD23 HD11 ' A' ' 72' ' ' ILE . 39.1 mt -67.84 -41.45 82.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 75' ' ' VAL . 67.5 t -69.43 -33.86 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -66.28 -32.59 74.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.47 HD11 HD23 ' A' ' 69' ' ' LEU . 26.3 pt -89.55 9.28 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 61.58 43.76 9.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -108.21 -31.6 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 70' ' ' VAL . 64.2 t -136.6 141.81 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.65 133.53 35.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.3 t -52.31 -33.12 40.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.35 -19.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.36 -37.55 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.502 HG13 ' HD2' ' A' ' 81' ' ' PRO . 24.4 t -66.3 136.92 95.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.723 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.502 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 1.08 HD11 HG21 ' A' ' 66' ' ' VAL . 5.3 tp . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.896 0.379 . . . . 0.0 111.1 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -58.33 3.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -54.14 -30.42 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 8.5 t80 -63.9 -56.53 14.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD11 ' CD2' ' A' ' 65' ' ' PHE . 28.4 tp -56.18 -54.45 45.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -49.35 -49.28 45.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.96 -49.76 73.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.444 ' NE1' HG22 ' A' ' 75' ' ' VAL . 86.8 t90 -53.84 -46.43 71.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 m -77.33 -11.34 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.47 -28.75 31.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.44 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -81.86 -26.76 33.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 8.0 mtp-105 -89.4 16.1 8.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? 61.95 47.78 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.458 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 49.6 mtm -131.62 154.24 49.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 m -132.84 101.68 13.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.62 35.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.59 133.36 54.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.423 ' OH ' HD23 ' A' ' 8' ' ' LEU . 65.9 m-85 -107.61 136.82 46.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -145.5 119.48 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.581 HG21 ' HG2' ' A' ' 54' ' ' LYS . 5.4 mp -103.81 126.75 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -102.55 164.49 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.21 126.28 52.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' HB2' ' A' ' 33' ' ' LYS . 28.6 m -144.76 175.07 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.0 178.9 29.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -86.26 165.64 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -10.94 6.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 4.2 t-20 -94.44 -51.63 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -111.97 96.34 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.408 ' NE2' ' CZ ' ' A' ' 34' ' ' PHE . 15.1 tt0 -72.94 141.28 47.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HB2' HG23 ' A' ' 26' ' ' VAL . 20.2 mtmm -130.86 155.69 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.429 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 47.9 m-85 -130.95 126.45 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtt -111.72 111.47 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -99.56 135.63 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.71 133.61 43.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 38' ' ' VAL . 10.2 p -118.14 117.59 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -107.75 135.66 48.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.458 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 99.2 t -122.39 130.31 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -56.9 139.94 50.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.5 -41.98 2.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -95.53 150.92 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -91.88 -30.04 16.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.517 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 13.1 t80 -74.27 144.85 44.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.64 112.19 10.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.21 114.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -107.57 135.97 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.57 146.26 15.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -132.54 140.12 48.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.7 m -169.26 151.98 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.6 p -63.86 -7.64 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER -138.08 158.08 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.581 ' HG2' HG21 ' A' ' 23' ' ' ILE . 65.9 mttt -72.13 -57.08 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' LYS . 15.8 mtpt -35.74 -48.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' SER . 2.7 m-20 -71.96 -59.08 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.41 -32.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -66.73 -41.62 87.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' ASP . 17.2 t -66.53 -37.47 85.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.57 -46.6 82.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.837 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -62.31 -34.59 76.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -72.57 -44.31 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.458 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 38.9 t70 -55.0 -51.59 65.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CD2' HD11 ' A' ' 8' ' ' LEU . 42.9 t80 -61.29 -49.82 75.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.08 HG21 HD11 ' A' ' 4' ' ' ILE . 76.2 t -49.69 -58.57 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -53.01 -35.24 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 45' ' ' TYR . 22.1 t80 -68.61 -37.63 79.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HB3' HG23 ' A' ' 75' ' ' VAL . 72.4 mt -60.0 -41.44 92.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.8 t -65.93 -42.0 91.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -57.75 -43.3 85.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.415 HD12 ' HG2' ' A' ' 74' ' ' GLU . 30.9 pt -79.82 7.37 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.03 44.61 10.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.415 ' HG2' HD12 ' A' ' 72' ' ' ILE . 12.5 mm-40 -110.49 -24.1 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 69' ' ' LEU . 90.3 t -137.05 141.02 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -92.9 135.59 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -59.06 -30.72 68.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.63 -23.2 16.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -92.06 -38.19 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 81' ' ' PRO . 84.3 t -63.13 138.69 97.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.744 HD11 HG21 ' A' ' 66' ' ' VAL . 2.6 tp . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.863 0.363 . . . . 0.0 111.103 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -52.35 -35.61 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -68.81 -24.76 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -76.7 -57.96 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.51 -47.83 78.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -57.26 -39.11 74.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.67 -50.77 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.503 ' NE1' HG22 ' A' ' 75' ' ' VAL . 85.3 t90 -60.3 -34.84 74.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 p -74.83 -39.5 61.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.86 -44.96 25.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -64.31 -38.39 90.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.725 0.298 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -82.02 13.59 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt 50.38 45.73 25.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.4 mtm -128.0 159.15 35.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.2 m -142.42 112.36 6.02 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.616 0.722 . . . . 0.0 111.121 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.82 36.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.49 125.24 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -101.45 133.68 45.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -134.22 116.31 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.9 mt -101.75 133.57 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -118.43 159.23 23.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.43 116.88 33.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.7 m -134.54 170.41 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.07 158.83 34.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -65.27 153.86 39.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -49.62 -32.79 13.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.473 ' N ' ' HD3' ' A' ' 29' ' ' LYS . 25.3 m-20 -70.86 -49.98 40.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -105.16 87.16 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -65.85 134.35 52.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -140.58 147.87 40.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 52' ' ' THR . 22.6 m-85 -123.68 145.96 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 77.6 mtp -126.46 114.14 17.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 t -101.65 146.71 27.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -141.96 120.32 12.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.538 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 13.4 p -106.61 127.1 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -121.43 132.98 55.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.5 t -123.6 128.78 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -50.77 154.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.85 -40.08 2.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -100.09 140.92 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.02 -31.89 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -74.81 146.36 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -134.54 121.21 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.45 133.61 3.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 ptp -118.6 129.7 55.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 50' ' ' ASN . . . -148.12 132.87 4.38 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 1.5 m-20 -130.6 123.75 30.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 t -172.18 129.01 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.655 HG23 ' OD1' ' A' ' 53' ' ' ASN . 9.9 t -47.11 -20.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.17 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' A' ' 52' ' ' THR . 5.1 m-20 -95.57 129.86 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -65.14 -47.3 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -51.69 -55.68 18.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.62 -54.73 38.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.25 -54.5 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -57.27 -52.0 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -52.3 -45.7 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -61.44 -46.96 87.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.89 -58.85 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -55.27 -59.25 5.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -47.55 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -41.85 66.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -68.34 -47.25 67.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.744 HG21 HD11 ' A' ' 4' ' ' ILE . 50.0 t -47.13 -36.11 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -63.98 -47.06 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -56.99 -36.52 70.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.472 HD23 HD11 ' A' ' 72' ' ' ILE . 58.8 mt -61.17 -45.26 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.62 -39.82 84.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -60.58 -43.71 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.472 HD11 HD23 ' A' ' 69' ' ' LEU . 35.0 pt -78.34 -1.39 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.1 t30 66.88 38.93 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -101.95 -19.93 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.503 HG22 ' NE1' ' A' ' 11' ' ' TRP . 96.7 t -144.81 130.21 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -80.14 133.81 36.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.2 p -58.0 -17.96 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.84 -18.73 57.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -98.54 -30.09 12.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 81' ' ' PRO . 90.2 t -67.28 138.75 94.48 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.651 0.739 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.898 HD11 HG21 ' A' ' 66' ' ' VAL . 6.6 tp . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.866 0.365 . . . . 0.0 111.138 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -62.65 -54.91 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -50.57 -35.25 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -61.52 -54.81 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.51 HD23 ' OH ' ' A' ' 21' ' ' TYR . 34.7 tp -61.79 -35.9 79.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -67.94 -60.14 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.24 -41.85 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -61.13 -52.56 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.21 -33.01 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.17 -41.32 99.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -63.78 -23.47 67.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -102.33 20.63 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.4 mttp 56.26 50.47 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.9 mtm -131.56 155.45 47.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 27.0 m -138.44 105.02 7.74 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.582 0.706 . . . . 0.0 111.09 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 54.3 Cg_endo -69.77 147.98 64.01 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.394 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.34 121.6 43.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.51 ' OH ' HD23 ' A' ' 8' ' ' LEU . 21.7 m-85 -105.15 132.57 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -134.82 147.44 49.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.449 HD13 ' HE2' ' A' ' 54' ' ' LYS . 97.4 mt -123.67 144.54 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -132.52 155.09 49.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.79 117.22 34.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 m -129.52 169.37 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.45 -171.67 28.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -105.14 172.1 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 pttp -57.74 -40.11 78.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -69.74 -43.24 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -115.33 82.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -72.6 132.49 43.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -129.99 156.67 44.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.445 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 31.3 m-85 -131.95 118.33 19.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.5 mtp -94.97 153.72 17.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -145.97 141.38 27.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -141.27 146.65 37.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 p -128.11 134.41 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.8 mtp-105 -118.77 150.99 38.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -141.42 135.83 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -60.29 149.4 33.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.67 -36.29 3.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -99.63 156.16 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -100.23 -39.63 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.45 150.42 35.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.56 104.63 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.43 129.42 19.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.62 153.39 39.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -153.73 132.1 3.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.84 134.4 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -166.66 139.15 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -41.01 -44.39 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -100.34 161.83 13.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HE2' HD13 ' A' ' 23' ' ' ILE . 20.3 mtpt -78.05 -39.82 40.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -40.52 -68.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' SER . 2.9 m-20 -62.27 -54.84 34.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.85 -34.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -75.44 -40.27 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.7 p -66.57 -38.44 87.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -59.29 -42.92 92.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.36 -63.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -48.06 -44.13 31.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.46 HH12 HG12 ' A' ' 80' ' ' VAL . 15.7 tpt180 -64.46 -57.5 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.4 m-20 -35.32 -65.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CD2' HD11 ' A' ' 8' ' ' LEU . 31.8 t80 -39.93 -44.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.898 HG21 HD11 ' A' ' 4' ' ' ILE . 23.0 t -49.46 -49.07 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.433 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -56.45 -22.31 31.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -88.93 -27.11 21.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD13 HG21 ' A' ' 75' ' ' VAL . 28.6 mt -72.79 -30.96 64.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.33 -34.28 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -65.08 -34.06 77.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.434 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 30.2 pt -85.71 2.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 63.31 34.28 13.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.432 ' HG3' HD12 ' A' ' 72' ' ' ILE . 58.8 mm-40 -98.88 -28.17 13.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.501 HG21 HD13 ' A' ' 69' ' ' LEU . 40.0 t -135.9 137.73 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -81.69 123.02 28.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -55.22 -21.62 14.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.6 -16.49 61.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.13 -29.33 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG12 HH12 ' A' ' 63' ' ' ARG . 96.8 t -67.0 132.09 93.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.406 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 C-N-CA 122.695 2.263 . . . . 0.0 112.377 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.542 HG21 ' O ' ' A' ' 59' ' ' SER . 6.9 tp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.881 0.372 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -61.68 -47.61 84.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -56.85 -35.14 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -58.59 -68.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.669 HD23 ' OH ' ' A' ' 21' ' ' TYR . 53.8 tp -53.74 -42.96 68.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -55.52 -53.38 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.63 -50.39 69.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.448 ' NE1' HG22 ' A' ' 75' ' ' VAL . 75.8 t90 -51.96 -41.72 62.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 m -73.92 -43.64 57.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.55 -31.09 69.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -66.87 -24.79 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 5.4 mtp-105 -106.36 31.74 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp 50.65 49.36 21.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.497 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 31.7 mtm -127.35 154.95 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 10.5 m -135.67 104.47 9.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.8 Cg_endo -69.72 135.11 29.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.323 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.43 123.23 46.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.669 ' OH ' HD23 ' A' ' 8' ' ' LEU . 94.7 m-85 -110.09 145.01 37.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -145.6 126.65 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.1 mt -107.51 118.72 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -105.71 165.25 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.95 123.5 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.9 m -137.42 174.19 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.83 162.76 36.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.83 157.19 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -45.95 -55.88 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -58.14 -35.57 71.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -115.59 91.63 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -75.43 142.18 43.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -143.75 150.12 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -129.56 134.6 47.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtt -116.39 138.91 50.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 61' ' ' ALA . 8.1 t -124.95 135.63 53.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -131.07 134.71 46.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.99 129.48 63.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -128.66 156.81 42.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 98.9 t -139.79 127.15 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -43.14 151.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.98 -43.0 3.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -93.82 152.1 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -108.91 29.12 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -114.2 151.61 32.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.78 104.93 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.88 121.26 5.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ptm -103.66 119.99 40.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.35 136.13 8.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -135.46 135.64 40.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -172.94 134.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.3 p -47.95 -25.26 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -103.07 143.91 31.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -67.54 -55.36 13.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -46.49 -48.58 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -51.99 62.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.35 -35.64 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -72.91 -39.6 66.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.542 ' O ' HG21 ' A' ' 4' ' ' ILE . 50.9 p -68.81 -25.41 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -81.4 -41.9 21.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.457 ' HB2' ' HB3' ' A' ' 36' ' ' CYS . . . -61.64 -54.54 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -54.94 -46.12 74.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' ASP . 2.9 tmt_? -63.62 -57.69 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.6 OUTLIER -35.46 -50.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.41 -46.52 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 62' ' ' ALA . 91.9 t -46.31 -40.87 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -59.25 -41.52 88.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -63.15 -37.98 89.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.437 ' HB3' HG23 ' A' ' 75' ' ' VAL . 49.9 mt -60.6 -43.11 97.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.52 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -59.63 -48.0 83.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.0 pt -71.78 -3.53 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.8 t30 71.37 44.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -111.21 -24.31 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.448 HG22 ' NE1' ' A' ' 11' ' ' TRP . 88.5 t -135.33 130.55 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -78.21 126.92 31.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.2 p -49.97 -37.0 30.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -46.62 -30.73 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -87.8 -31.13 19.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.443 HG22 ' CG1' ' A' ' 66' ' ' VAL . 53.8 t -64.51 128.2 93.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.405 ' HG2' HD13 ' A' ' 4' ' ' ILE . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.405 HD11 HG21 ' A' ' 66' ' ' VAL . 4.3 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -55.92 -32.71 64.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -63.75 -14.99 57.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -91.75 -56.28 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.0 tp -57.21 -47.08 82.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -49.98 -53.67 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.09 -60.82 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.455 ' NE1' HG22 ' A' ' 75' ' ' VAL . 55.2 t90 -42.26 -40.44 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.1 m -74.36 -47.75 32.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.92 -34.74 66.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -63.17 -30.77 71.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 5.9 mtp-105 -99.07 28.33 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp 55.79 44.44 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.4 mtm -125.59 152.91 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 30.4 m -134.87 101.64 11.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.2 Cg_endo -69.76 140.3 42.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.94 152.43 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -134.6 139.79 45.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -137.47 149.52 46.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.9 mt -128.99 150.42 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -140.67 160.33 40.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.5 128.35 56.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.498 HG23 ' HB3' ' A' ' 33' ' ' LYS . 2.9 m -141.41 174.54 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.99 173.45 36.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -78.88 177.57 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -59.46 -43.75 93.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -78.59 -38.0 41.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -107.38 90.28 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -98.48 143.34 29.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.498 ' HB3' HG23 ' A' ' 26' ' ' VAL . 5.3 tppt? -137.53 156.92 47.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -124.16 117.47 24.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 38.8 mtm -97.23 133.84 41.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.3 t -125.97 151.32 47.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -144.54 151.29 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.26 132.43 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -128.38 142.08 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.8 t -132.6 123.42 49.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -48.32 139.25 8.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.19 -36.37 4.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.78 162.87 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -105.07 -34.97 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -66.86 144.78 56.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' GLY . . . -131.76 101.95 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' ALA . . . -35.47 145.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.3 mtm -132.3 134.72 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.97 132.95 5.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -130.57 134.79 47.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.9 t -173.33 154.23 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.3 p -60.94 -23.53 65.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 2.0 p-10 -115.6 147.15 41.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -68.55 -44.27 74.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.34 -66.59 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -60.8 -53.48 56.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.52 -42.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -70.66 -54.83 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.2 t -50.91 -41.05 58.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -61.51 -50.47 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.35 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -44.96 -62.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 66' ' ' VAL . 9.3 tpt180 -48.19 -58.55 4.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -38.52 -46.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -69.59 -34.19 73.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 62' ' ' ALA . 96.7 t -59.83 -36.36 65.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -62.43 -44.68 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -61.73 -33.79 74.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.545 HD13 HG21 ' A' ' 75' ' ' VAL . 38.6 mt -61.8 -49.73 75.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.61 -42.72 85.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -55.9 -53.16 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.465 HD12 ' HG2' ' A' ' 74' ' ' GLU . 46.0 pt -67.38 -5.0 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 71.81 40.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.465 ' HG2' HD12 ' A' ' 72' ' ' ILE . 26.8 mm-40 -107.15 -19.44 13.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.545 HG21 HD13 ' A' ' 69' ' ' LEU . 92.0 t -138.44 127.67 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -77.79 126.89 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 p -49.13 -36.79 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -45.73 -34.31 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -84.97 -36.79 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -63.03 131.0 94.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.856 HD11 HG21 ' A' ' 66' ' ' VAL . 1.8 tp . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.898 0.38 . . . . 0.0 111.161 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -41.68 61.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.0 -27.7 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -75.02 -60.19 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.645 HD23 ' OH ' ' A' ' 21' ' ' TYR . 56.2 tp -48.35 -52.45 21.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -51.48 -59.69 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.57 67.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.42 ' NE1' HG22 ' A' ' 75' ' ' VAL . 89.4 t90 -56.32 -53.45 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.11 -49.53 77.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.87 -29.29 61.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -66.8 -24.34 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -108.13 26.35 10.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.9 mttp 60.7 45.5 10.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.7 mtm -129.76 157.02 43.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.423 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 5.4 m -138.52 105.04 7.68 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.1 Cg_endo -69.78 137.73 36.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.38 135.34 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.645 ' OH ' HD23 ' A' ' 8' ' ' LEU . 55.9 m-85 -119.3 134.99 54.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -131.7 126.19 33.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.4 mt -101.5 128.92 53.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 tpp85 -114.53 157.71 22.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.64 119.21 35.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 m -140.38 168.65 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.63 -164.26 13.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.532 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -98.48 165.22 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -49.53 -44.76 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -81.62 -39.39 24.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -95.15 84.04 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -79.9 135.9 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -132.57 157.21 45.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -133.76 109.91 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 mtt -97.69 101.56 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.7 t -97.9 144.01 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -144.64 132.22 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.519 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 7.9 p -109.47 148.51 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -140.37 143.01 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.46 118.0 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -48.32 125.06 8.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.12 -35.68 4.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -101.7 152.12 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -89.46 -46.76 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -63.45 142.82 58.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -132.04 109.54 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.01 128.63 2.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -122.72 135.56 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.34 132.62 4.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -131.81 136.66 47.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -173.77 150.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.0 p -55.71 -27.31 49.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -96.28 157.24 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -85.7 -43.36 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -57.81 -46.83 84.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.77 -47.43 78.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.14 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -65.62 -45.81 81.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 p -60.36 -37.85 82.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -66.73 -46.47 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.47 76.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -63.72 -65.45 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -45.2 -43.49 10.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.427 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -49.71 -58.05 6.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.97 -33.74 73.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.856 HG21 HD11 ' A' ' 4' ' ' ILE . 98.5 t -60.8 -55.0 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.9 OUTLIER -53.19 -32.0 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.73 -37.65 70.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.45 HD13 HG21 ' A' ' 75' ' ' VAL . 77.8 mt -56.67 -46.2 81.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 75' ' ' VAL . 98.5 t -62.82 -42.26 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -55.15 -37.09 66.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.7 pt -88.43 4.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m120 64.18 43.42 4.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -106.94 -27.35 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.506 ' O ' HG22 ' A' ' 70' ' ' VAL . 83.0 t -136.55 142.93 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -92.76 130.56 38.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -50.27 -38.7 42.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -47.68 -29.0 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -85.2 -31.66 23.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 81' ' ' PRO . 88.9 t -69.37 138.56 89.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.636 0.731 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.638 HD11 HG21 ' A' ' 66' ' ' VAL . 8.4 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -71.65 -64.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -50.94 -17.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 9.1 t80 -76.99 -46.59 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.6 tp -76.85 -49.83 14.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -53.96 -44.66 70.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.27 -45.6 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.446 ' NE1' HG22 ' A' ' 75' ' ' VAL . 68.0 t90 -57.24 -50.0 74.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 m -64.91 -44.72 88.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.63 -42.24 58.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -61.7 -20.04 63.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -105.9 26.65 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 52.41 42.24 31.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.1 mtm -121.59 157.33 31.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.2 m -134.17 101.59 12.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 132.6 23.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.311 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.47 134.76 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -117.25 103.84 10.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.34 148.33 26.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.732 HG21 ' HE3' ' A' ' 54' ' ' LYS . 84.2 mt -122.74 143.51 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -131.84 163.81 27.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.9 120.14 36.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.5 m -134.83 159.65 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.64 -177.67 21.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -94.25 163.85 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -45.21 -58.0 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -67.31 -33.2 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -111.72 71.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -79.65 146.94 32.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -140.51 157.4 45.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 23.3 m-85 -125.14 108.64 11.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.0 mtp -96.91 120.81 37.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.5 t -113.9 149.34 35.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -142.95 142.94 31.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.738 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 12.4 p -113.61 147.77 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -131.54 147.12 52.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.0 118.73 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -45.16 147.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.72 -41.57 3.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -96.13 144.82 26.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -91.12 -25.29 19.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -75.51 142.59 42.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -132.6 103.79 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' ALA . . . -35.1 135.56 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.464 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.0 ptm -121.25 137.5 54.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -154.18 137.43 5.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -127.51 146.19 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -174.83 131.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.1 p -41.31 -31.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.11 154.88 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.732 ' HE3' HG21 ' A' ' 23' ' ' ILE . 2.1 mmmm -79.43 -49.14 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -48.13 -51.87 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ALA . 11.4 t70 -64.78 -58.24 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ASP . . . -35.46 -46.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.09 -58.23 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -47.89 -36.86 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.66 -33.93 73.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.36 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -60.34 -54.05 50.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.51 -32.94 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -67.51 -61.61 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -49.21 -22.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 4' ' ' ILE . 96.7 t -73.14 -35.13 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.1 p30 -65.57 -34.86 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -72.2 -33.61 67.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.582 HD13 HG21 ' A' ' 75' ' ' VAL . 78.1 mt -62.04 -50.13 73.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.7 t -56.39 -36.64 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -62.81 -49.52 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.46 HD11 HD23 ' A' ' 69' ' ' LEU . 25.5 pt -71.14 -0.37 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 67.43 37.64 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -103.97 -23.38 13.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.582 HG21 HD13 ' A' ' 69' ' ' LEU . 92.8 t -137.1 138.94 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -90.45 130.38 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.6 p -53.04 -36.61 60.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -49.76 -25.31 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.99 -24.61 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.1 t -72.7 129.95 86.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.915 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 1.075 HD11 HG21 ' A' ' 66' ' ' VAL . 5.8 tp . . . . . 0 N--CA 1.457 -0.102 0 CA-C-O 120.951 0.405 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -62.47 -39.07 92.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -70.11 -28.09 65.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -72.86 -62.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.1 tp -57.42 -52.31 65.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -46.75 -62.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.35 -47.25 72.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.455 ' NE1' HG22 ' A' ' 75' ' ' VAL . 67.5 t90 -57.59 -35.66 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.6 m -73.4 -47.83 38.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.19 -43.86 88.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -55.97 -29.81 60.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.428 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 16.6 mtp85 -98.06 19.57 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 tptm 59.34 43.88 16.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 69.8 mtm -132.69 150.85 52.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -126.12 119.43 23.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.567 0.698 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.43 30.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.53 115.22 29.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -106.33 129.55 54.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.48 131.57 27.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.478 HD13 ' HD2' ' A' ' 54' ' ' LYS . 67.9 mt -107.94 148.79 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -126.24 158.72 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.17 122.42 43.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.72 175.15 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.04 179.26 34.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 29' ' ' LYS . 24.5 m120 -83.85 147.71 27.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' ASN . 25.9 ttpt -37.94 -45.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -71.42 -47.19 57.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -99.87 93.93 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' THR . 18.5 tp60 -81.04 139.67 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -135.26 157.27 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -131.84 123.23 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mtt -107.4 104.86 14.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.1 t -98.99 136.02 39.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -133.91 136.2 44.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.7 144.64 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -132.85 148.64 52.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 91.7 t -140.97 116.97 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -46.61 140.67 4.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.58 -27.5 20.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -112.13 156.14 22.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -95.76 -40.52 9.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -65.92 145.02 56.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.14 114.2 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.143 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.26 139.61 4.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -124.0 129.75 51.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.97 136.77 8.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -128.7 133.19 48.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.369 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -172.07 145.11 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 32' ' ' GLN . 10.4 m -61.43 -28.35 69.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -94.09 148.1 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HD2' HD13 ' A' ' 23' ' ' ILE . 2.5 mmmm -74.74 -34.89 62.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -19.08 56.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -88.84 -33.62 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.35 -27.22 68.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -74.64 -53.64 8.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.7 t -53.52 -27.16 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -81.35 -33.55 32.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.42 -54.19 15.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -58.26 -48.8 79.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.473 ' N ' HG12 ' A' ' 4' ' ' ILE . 5.0 mmm180 -60.95 -20.92 62.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.475 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 40.3 t0 -77.29 -62.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -47.63 -29.15 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.075 HG21 HD11 ' A' ' 4' ' ' ILE . 82.7 t -60.85 -49.79 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 1.1 p30 -48.18 -32.38 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.472 ' CE1' HD13 ' A' ' 72' ' ' ILE . 34.6 t80 -79.19 -28.95 42.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 mt -68.91 -28.01 66.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.8 t -85.95 -42.14 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -60.17 -32.73 71.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 68' ' ' TYR . 23.5 pt -84.04 -5.1 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.8 t30 72.7 36.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -103.76 -26.25 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.455 HG22 ' NE1' ' A' ' 11' ' ' TRP . 96.0 t -135.65 140.95 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -92.06 131.19 37.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.8 p -56.26 -23.89 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.04 -24.76 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -93.36 -36.16 12.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 81' ' ' PRO . 97.4 t -62.87 138.66 97.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.88 HD11 HG21 ' A' ' 66' ' ' VAL . 4.3 tp . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.884 0.373 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 21' ' ' TYR . 1.8 tmtt? -47.53 -47.56 27.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -54.71 -32.75 60.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.552 ' CE1' ' HA ' ' A' ' 80' ' ' VAL . 74.4 t80 -67.09 -62.08 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 ' OH ' ' A' ' 21' ' ' TYR . 52.1 tp -56.44 -53.68 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.78 -68.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.43 -39.56 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.515 ' NE1' HG22 ' A' ' 75' ' ' VAL . 88.0 t90 -62.18 -48.37 80.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 m -64.59 -45.72 85.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.7 -41.9 43.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -60.59 -38.52 84.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.401 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 24.0 mtp85 -87.93 18.62 4.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 57.32 45.78 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 23.7 mtm -127.17 154.89 44.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 5.4 m -132.87 101.6 13.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.694 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.5 Cg_endo -69.76 133.94 26.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.17 139.54 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.5 ' OH ' HD23 ' A' ' 8' ' ' LEU . 83.5 m-85 -121.2 122.5 40.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -119.02 130.52 55.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.407 HD13 ' HE2' ' A' ' 54' ' ' LYS . 42.1 mt -110.08 135.75 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -121.57 161.18 22.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.93 122.57 47.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.4 m -142.33 174.53 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.06 164.36 28.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -67.82 160.89 27.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -46.05 -45.46 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -77.86 -46.46 21.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -93.48 90.54 6.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -91.78 140.67 29.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -135.49 158.82 43.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -126.64 115.64 19.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.9 mtt -99.25 110.82 23.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -103.27 140.94 36.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -137.06 146.42 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.4 p -127.41 146.35 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -139.1 147.83 42.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 74.1 t -139.63 123.25 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -45.44 136.08 5.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.76 -43.19 1.73 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -94.52 147.21 23.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -94.25 -37.46 11.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.27 138.1 55.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.76 134.56 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.54 133.83 38.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mmt -108.15 131.75 54.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.04 133.02 6.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -138.05 122.26 18.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -164.25 145.97 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -56.19 -32.06 64.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -106.76 157.57 17.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HE2' HD13 ' A' ' 23' ' ' ILE . 26.1 mtpt -70.21 -49.76 46.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -42.99 -60.94 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.69 -52.91 63.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.68 -56.58 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.98 -44.68 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.5 m -60.99 -42.4 98.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -59.7 -53.81 53.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.78 -58.95 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.604 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -56.32 -55.97 26.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -48.56 -29.71 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 15.2 t70 -70.93 -65.93 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -45.19 -37.12 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.88 HG21 HD11 ' A' ' 4' ' ' ILE . 94.0 t -54.35 -41.01 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.9 OUTLIER -63.98 -39.32 93.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.43 ' CE2' HD13 ' A' ' 72' ' ' ILE . 30.6 t80 -63.1 -43.76 97.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.662 HD23 HD11 ' A' ' 72' ' ' ILE . 56.2 mt -57.52 -51.51 69.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.1 t -53.06 -45.19 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.1 mmt-85 -58.03 -51.86 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.662 HD11 HD23 ' A' ' 69' ' ' LEU . 20.3 pt -69.55 -1.96 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 69.6 33.91 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' CA ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -93.14 -26.6 17.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.515 HG22 ' NE1' ' A' ' 11' ' ' TRP . 67.5 t -146.54 132.24 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.62 149.67 26.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 p -70.61 -26.85 63.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -54.45 -20.43 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -97.21 -29.45 13.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 81' ' ' PRO . 95.6 t -64.38 138.81 97.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.656 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.894 HD11 HG21 ' A' ' 66' ' ' VAL . 7.2 tp . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.897 0.38 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -64.19 -39.33 93.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.62 -22.49 56.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -81.21 -63.17 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 tp -50.49 -36.89 35.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -64.26 -49.05 73.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.7 92.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.443 ' NE1' HG22 ' A' ' 75' ' ' VAL . 85.4 t90 -71.36 -38.33 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 1.7 p -66.31 -41.51 89.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.437 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -53.72 -41.44 65.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -55.45 -33.96 64.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -96.45 7.4 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? 59.59 50.73 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.4 mtm -130.29 162.84 28.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.6 m -139.3 115.45 8.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.551 0.691 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.8 24.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.69 119.66 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -105.89 115.95 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -135.27 127.66 30.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.487 HD11 ' NE2' ' A' ' 58' ' ' GLN . 4.6 mp -104.81 132.72 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -104.86 160.39 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.61 121.37 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.53 172.63 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.23 172.19 33.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -74.59 160.06 31.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -52.53 -37.94 58.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -73.57 -49.34 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -102.19 95.88 6.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.54 142.56 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.01 157.03 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -126.24 123.25 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.3 mtp -105.78 107.76 18.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.528 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 8.5 t -98.3 127.34 44.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -133.68 124.99 27.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.406 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 3.7 p -106.2 132.94 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -118.33 141.28 48.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -131.97 119.37 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.22 139.79 10.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.9 -37.81 3.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.534 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -102.21 145.94 28.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -84.61 -40.62 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.88 148.72 49.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -134.45 119.23 18.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.54 118.73 5.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 ptm -111.35 140.43 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -146.42 136.93 6.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.8 133.97 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.0 m -165.0 171.03 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.41 -27.76 37.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -119.68 157.55 28.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -69.57 -42.99 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -43.67 -60.8 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.07 -54.51 32.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 36' ' ' CYS . . . -40.31 -42.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.487 ' NE2' HD11 ' A' ' 23' ' ' ILE . 22.9 mm-40 -61.07 -47.37 86.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -59.13 -43.62 92.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -58.75 -48.78 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.22 -64.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -47.21 -51.13 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -54.98 -40.47 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.494 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 5.9 t0 -59.58 -58.27 9.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -52.77 -42.35 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.894 HG21 HD11 ' A' ' 4' ' ' ILE . 83.9 t -48.67 -52.82 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.7 OUTLIER -58.01 -43.69 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.489 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 37.7 t80 -56.72 -33.53 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' A' ' 75' ' ' VAL . 32.8 mt -69.67 -43.55 72.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.15 -33.33 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -66.23 -41.39 90.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.449 HG13 ' CG ' ' A' ' 74' ' ' GLU . 12.3 pt -84.38 15.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 73' ' ' ASN . 0.5 OUTLIER 55.97 40.29 30.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CG ' HG13 ' A' ' 72' ' ' ILE . 6.0 mm-40 -105.13 -23.27 12.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.527 HG23 ' HB3' ' A' ' 69' ' ' LEU . 74.7 t -137.17 140.85 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -92.96 128.09 38.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.3 p -51.43 -31.25 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -51.72 -28.54 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -91.12 -26.46 19.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 81' ' ' PRO . 84.9 t -69.81 138.67 88.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 80' ' ' VAL . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.856 HD11 HG21 ' A' ' 66' ' ' VAL . 8.8 tp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' CD ' ' H ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -56.22 -58.45 7.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -46.64 -36.69 7.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -65.52 -67.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.1 tp -47.27 -48.08 24.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -51.61 -54.03 32.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.09 75.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.47 ' NE1' HG22 ' A' ' 75' ' ' VAL . 90.3 t90 -53.74 -42.41 68.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -79.47 -23.7 42.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.24 -22.06 76.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -90.82 -32.29 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.8 mtt-85 -85.53 26.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.74 47.01 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.5 mtm -133.53 157.45 45.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 m -134.73 110.86 11.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 147.99 63.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.87 125.89 42.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -109.79 144.08 38.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -139.93 120.1 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.478 HD11 HE21 ' A' ' 58' ' ' GLN . 67.3 mt -99.23 134.66 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -120.97 166.67 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.54 117.81 31.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.496 HG21 ' HG3' ' A' ' 35' ' ' MET . 2.0 m -135.48 172.04 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.32 -164.51 20.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -104.89 168.14 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -50.96 -53.9 28.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -64.95 -48.45 74.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -99.75 92.46 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -89.45 135.64 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -134.55 164.88 26.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.31 139.6 45.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.496 ' HG3' HG21 ' A' ' 26' ' ' VAL . 7.2 mtp -115.72 116.98 29.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.7 t -109.95 123.94 50.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -123.36 129.36 51.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.1 p -106.46 136.31 41.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -127.49 144.91 51.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.8 t -136.03 121.88 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -48.37 153.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.3 -45.56 2.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.442 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -90.51 158.37 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -98.62 -38.37 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -63.69 153.26 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.73 114.55 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.49 123.72 31.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 mtt -110.28 131.3 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.12 152.63 20.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -144.85 133.3 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.465 ' HB2' ' CA ' ' A' ' 57' ' ' ALA . 3.1 m -169.62 136.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.7 p -49.63 -28.1 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -114.99 142.07 47.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 55' ' ' LYS . 51.9 mttt -56.29 -58.32 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 54' ' ' LYS . 15.5 tptp -34.31 -61.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.94 -55.28 36.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.465 ' CA ' ' HB2' ' A' ' 51' ' ' SER . . . -40.69 -52.49 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.478 HE21 HD11 ' A' ' 23' ' ' ILE . 38.2 mm-40 -55.23 -42.7 73.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.493 ' O ' HG21 ' A' ' 4' ' ' ILE . 20.1 m -62.81 -39.68 95.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -65.08 -49.73 68.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.64 -59.76 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -54.95 -62.95 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' ALA . 4.5 ttp180 -35.9 -45.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -58.91 -61.48 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -51.99 -38.88 58.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.856 HG21 HD11 ' A' ' 4' ' ' ILE . 59.0 t -52.13 -44.56 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.55 -47.69 84.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -53.07 -41.1 64.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.698 HD13 HG21 ' A' ' 75' ' ' VAL . 51.2 mt -58.36 -53.23 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 75' ' ' VAL . 99.2 t -56.38 -37.61 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -62.48 -41.99 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.434 ' CG1' ' OE2' ' A' ' 74' ' ' GLU . 26.7 pt -83.72 -0.76 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m120 72.13 39.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.434 ' OE2' ' CG1' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -103.15 -27.19 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.698 HG21 HD13 ' A' ' 69' ' ' LEU . 97.8 t -137.86 133.17 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -87.32 132.34 33.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.2 p -52.17 -31.86 33.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -54.41 -24.12 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.51 -35.59 15.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.423 HG13 ' HD2' ' A' ' 81' ' ' PRO . 95.3 t -63.44 133.0 95.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.4 tp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.896 0.379 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HE3' ' CZ ' ' A' ' 21' ' ' TYR . 8.0 tptm -75.56 -55.49 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -47.91 -27.92 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -70.33 -64.25 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.07 -54.96 16.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -49.27 -59.25 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.93 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.47 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 76.0 t90 -55.27 -54.03 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.405 ' SG ' ' CB ' ' A' ' 17' ' ' MET . 1.8 t -56.84 -41.88 78.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.77 -39.11 93.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -60.25 -31.25 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 29.7 mtp180 -92.61 17.42 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp 59.85 44.02 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.405 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 71.0 mtm -129.68 163.49 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 10.8 m -139.71 108.3 7.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.57 0.7 . . . . 0.0 111.159 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.8 Cg_endo -69.77 133.41 25.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.16 141.4 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.408 ' CZ ' ' HE3' ' A' ' 5' ' ' LYS . 66.8 m-85 -122.45 126.55 48.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -120.72 118.71 30.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.4 mt -101.98 123.02 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -109.84 162.75 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.26 120.76 38.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -149.0 150.36 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.24 166.66 12.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -63.51 172.5 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -76.42 -3.4 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -100.46 -53.41 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -116.26 76.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.93 154.56 29.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -129.61 158.92 37.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -133.58 111.97 11.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.9 mtp -94.92 109.82 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.3 t -102.28 121.61 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -119.96 145.52 46.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.4 p -124.14 145.42 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -133.65 146.64 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -138.07 124.29 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -49.22 142.35 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.14 -39.69 2.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -95.8 148.31 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -92.67 -34.4 13.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -67.64 147.54 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.38 114.56 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.16 135.21 17.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.2 mtp -131.29 130.42 42.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -145.14 134.97 5.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -113.69 136.3 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -166.01 140.48 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.2 p -61.06 -22.99 65.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -107.62 140.31 40.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -61.8 -51.95 66.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -50.35 -54.11 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' ALA . 24.7 t0 -57.65 -59.4 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ASP . . . -36.97 -46.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -57.29 -58.14 9.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 m -45.72 -38.58 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -69.61 -47.66 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.9 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -59.37 -60.67 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -48.8 -44.41 39.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.85 -55.41 20.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.13 -40.69 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 62' ' ' ALA . 64.9 t -49.75 -45.67 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -55.0 -29.73 57.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.434 ' O ' HG23 ' A' ' 72' ' ' ILE . 33.5 t80 -79.48 -28.28 41.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 24.0 mt -71.4 -29.01 64.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.8 t -84.7 -38.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -62.93 -35.08 78.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 68' ' ' TYR . 37.3 pt -80.99 -5.16 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 71.68 42.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -111.0 -28.4 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.442 HG22 ' NE1' ' A' ' 11' ' ' TRP . 77.1 t -130.75 130.31 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -83.84 126.81 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t -49.52 -26.88 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -55.07 -32.57 62.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.2 -30.33 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.1 t -64.68 131.38 95.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.381 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.625 HG23 ' N ' ' A' ' 5' ' ' LYS . 8.0 tp . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.902 0.382 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.625 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -36.49 -60.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -43.47 -38.7 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 4' ' ' ILE . 66.0 t80 -62.71 -66.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 tp -48.03 -54.7 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -47.58 -62.08 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.84 57.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.488 ' NE1' HG22 ' A' ' 75' ' ' VAL . 77.3 t90 -54.53 -48.66 71.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.41 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 11.8 m -63.16 -50.67 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.53 -45.96 46.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -53.95 -30.26 46.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.727 0.299 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -97.86 21.54 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.2 mttt 55.76 39.0 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.2 mtm -123.51 162.87 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 m -138.25 111.25 8.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 12' ' ' CYS . 53.7 Cg_endo -69.78 131.82 21.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.61 124.23 39.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -110.11 126.88 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -134.58 141.38 46.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.634 HD11 HE21 ' A' ' 58' ' ' GLN . 65.8 mt -118.59 142.72 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -129.79 167.99 17.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.28 128.58 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.14 175.71 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.0 -161.31 30.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -107.27 171.76 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -63.87 -26.12 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -75.41 -45.85 36.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -116.03 86.95 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.94 140.16 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.03 156.12 48.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.463 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 24.0 m-85 -129.5 108.95 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.4 mtp -93.58 132.62 37.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -127.45 142.82 51.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -138.45 134.48 34.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 38' ' ' VAL . 14.5 p -116.51 124.51 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -114.58 148.59 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.0 t -136.28 113.78 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -43.4 130.08 5.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.61 -43.74 1.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -94.73 151.75 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.893 0.377 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -89.25 -42.37 11.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -67.38 137.08 55.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.47 107.67 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.67 133.87 2.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.429 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -129.9 153.08 48.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -155.44 140.97 7.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -128.15 117.53 21.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 m -152.1 167.01 29.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -78.49 -35.15 46.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -93.75 143.32 26.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 76.2 mttt -66.02 -47.68 73.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -53.11 -57.32 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -55.4 -58.05 9.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.71 -54.72 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.634 HE21 HD11 ' A' ' 23' ' ' ILE . 25.7 mm-40 -54.17 -43.82 70.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.3 t -62.25 -40.69 97.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -60.81 -45.96 92.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.87 53.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.053 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -60.17 -48.82 80.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -31.95 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.97 -63.71 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -44.48 -34.36 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 62' ' ' ALA . 92.7 t -55.67 -46.45 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -58.82 -36.16 74.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -67.6 -34.0 76.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.566 HD13 HG21 ' A' ' 75' ' ' VAL . 52.5 mt -64.65 -49.24 71.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.3 t -56.19 -42.97 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.7 mmt-85 -56.95 -52.54 64.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.505 HD11 HD23 ' A' ' 69' ' ' LEU . 26.1 pt -70.67 -0.63 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 68.08 42.28 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -106.56 -16.78 14.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.566 HG21 HD13 ' A' ' 69' ' ' LEU . 88.0 t -141.92 141.47 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -91.08 126.47 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 p -50.12 -32.03 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -53.23 -29.75 34.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -87.28 -36.63 17.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.82 131.45 94.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.678 0.752 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 179.92 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 7.8 t -129.41 43.37 3.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.86 0.362 . . . . 0.0 110.858 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 13.1 p -142.04 166.75 23.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -103.21 -179.2 26.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 t -112.57 99.09 7.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 110.822 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -126.85 82.37 2.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 165.01 166.92 24.78 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.597 HD11 HG21 ' A' ' 66' ' ' VAL . 9.9 tp -84.8 -28.66 6.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.906 0.384 . . . . 0.0 111.187 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 24.5 tptt -69.25 -51.14 40.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.836 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 34.7 t-20 -58.29 -24.19 58.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.867 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.631 ' HZ ' HG11 ' A' ' 75' ' ' VAL . 10.0 t80 -68.5 -56.78 7.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 33.0 tp -58.55 -51.19 70.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -56.11 -38.03 70.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.932 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.18 -42.04 76.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.117 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.721 ' NE1' HG22 ' A' ' 75' ' ' VAL . 90.1 t90 -70.11 -36.38 74.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 1.3 p -76.01 -41.83 49.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -52.04 -44.44 56.57 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.5 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -68.07 -35.21 77.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.761 0.315 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.572 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 13.7 mtp85 -85.9 18.07 3.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.3 mtmm 49.21 49.08 20.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.8 mtm -134.4 160.06 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 91.6 m -142.62 118.88 6.84 Favored Pre-proline 0 C--N 1.33 -0.246 0 CA-C-O 121.585 0.707 . . . . 0.0 111.15 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.86 144.13 52.52 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.674 2.249 . . . . 0.0 112.305 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -113.68 117.45 31.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.529 ' CD2' ' OE1' ' A' ' 58' ' ' GLN . 14.6 m-85 -100.28 137.95 38.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -137.67 120.75 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mt -92.11 143.57 11.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.158 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mtm180 -132.56 161.18 34.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -106.86 126.2 51.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.6 m -149.26 173.7 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.53 -156.23 19.41 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.515 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.5 m-20 -107.69 178.52 4.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.892 0.377 . . . . 0.0 110.878 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -67.96 -53.64 24.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -57.23 -47.75 80.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.2 mmt-85 -117.19 108.3 15.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -96.87 158.99 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 tptm -143.08 158.77 43.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -126.98 104.4 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.0 mtt -88.05 127.24 35.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.818 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.9 t -117.17 130.2 56.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -121.57 126.83 50.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.4 p -107.86 130.5 60.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 39' ' ' ARG . 12.9 mtp-105 -121.72 145.15 48.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 56.6 t -133.37 115.94 24.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -45.77 139.34 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.36 -34.12 5.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.479 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -105.69 155.0 19.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -93.8 -42.4 9.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.43 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 47.1 t80 -61.89 149.41 40.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.56 123.14 24.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.075 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.0 127.43 44.82 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.8 ptm -109.5 130.02 55.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.871 0.367 . . . . 0.0 110.879 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.27 134.09 7.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.5 p30 -127.38 132.33 50.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.794 0.33 . . . . 0.0 110.949 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 m -173.57 136.87 0.6 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.9 m -53.09 -29.64 31.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.187 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 -101.16 151.03 22.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 37.0 mttt -72.74 -47.44 46.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 12.5 ptmt -50.78 -48.28 59.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.51 -52.82 34.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.91 -44.14 6.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.529 ' OE1' ' CD2' ' A' ' 21' ' ' TYR . 34.5 mm-40 -61.45 -52.09 65.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 46.5 m -56.42 -44.44 80.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.831 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -59.06 -53.0 63.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.88 -52.46 6.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.26 -63.49 1.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.31 -39.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.869 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -61.05 -58.06 9.98 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -53.66 -40.22 65.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.597 HG21 HD11 ' A' ' 4' ' ' ILE . 66.2 t -53.0 -48.92 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.7 m-20 -56.33 -44.65 80.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.481 ' CE2' HD13 ' A' ' 72' ' ' ILE . 25.3 t80 -57.66 -43.65 85.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.645 HD23 HD11 ' A' ' 72' ' ' ILE . 47.7 mt -55.64 -51.86 65.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.909 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.13 -43.54 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.419 ' NH1' ' HB3' ' A' ' 71' ' ' ARG . 4.9 mmm180 -60.94 -52.43 65.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.645 HD11 HD23 ' A' ' 69' ' ' LEU . 19.0 pt -67.31 -3.18 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.449 ' C ' ' OE1' ' A' ' 74' ' ' GLU . 2.6 m-80 71.18 35.18 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.496 ' N ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -94.72 -33.19 13.02 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.721 HG22 ' NE1' ' A' ' 11' ' ' TRP . 93.8 t -135.76 140.48 44.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.119 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -91.09 138.59 31.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 79.6 p -53.89 -31.56 50.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.893 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -47.83 -28.32 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.874 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -88.9 -31.69 18.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.668 HG13 ' HD2' ' A' ' 81' ' ' PRO . 87.1 t -65.11 138.75 97.45 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.646 0.736 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.668 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.75 152.65 69.42 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.724 2.283 . . . . 0.0 112.34 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.19 161.17 19.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.529 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.04 107.94 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.147 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.17 -43.69 0.91 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.493 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.479 ' N ' HD13 ' A' ' 85' ' ' ILE . 0.1 OUTLIER -66.33 148.16 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.353 . . . . 0.0 111.182 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.7 t -134.47 85.03 38.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 111.159 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 169.62 18.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.278 . . . . 0.0 112.311 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 148.33 64.62 Favored 'Trans proline' 0 N--CA 1.465 -0.185 0 C-N-CA 122.684 2.256 . . . . 0.0 112.34 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.443 ' O ' ' N ' ' A' ' 91' ' ' GLY . 54.0 Cg_endo -69.72 -15.95 37.47 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.36 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.3 t -41.68 94.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 89' ' ' PRO . . . 157.9 83.28 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.463 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 101.02 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.703 2.269 . . . . 0.0 112.316 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m 55.93 49.37 16.04 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.5 p -116.98 -46.92 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.864 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 -179.977 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 73.9 m -88.05 164.93 15.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.854 0.359 . . . . 0.0 110.874 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 48.9 p -168.01 153.53 7.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -71.24 155.87 52.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.3 m -67.66 143.17 56.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.897 0.379 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 p -107.99 -55.13 2.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 176.67 -142.89 6.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.49 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.4 tp -72.83 -24.56 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 111.11 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.511 ' HE2' ' CZ ' ' A' ' 21' ' ' TYR . 10.9 tmtt? -56.61 -51.37 68.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 27.7 t30 -56.56 -37.33 70.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -59.04 -59.89 4.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 tp -56.9 -61.74 2.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -39.96 -56.18 1.88 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.59 -56.54 20.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.115 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.541 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 88.8 t90 -47.3 -55.89 7.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' SG ' ' CB ' ' A' ' 17' ' ' MET . 1.8 t -56.02 -43.93 78.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.75 -38.88 97.21 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -58.4 -30.3 66.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.737 0.304 . . . . 0.0 110.869 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.541 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 6.2 mtp-105 -96.36 19.65 11.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.889 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' N ' ' HD3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER 61.38 49.94 5.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.4 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 25.6 mtm -134.09 161.06 35.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.3 m -139.9 104.94 6.81 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.578 0.704 . . . . 0.0 111.136 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 145.49 57.57 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.704 2.269 . . . . 0.0 112.341 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.02 143.28 35.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.123 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.511 ' CZ ' ' HE2' ' A' ' 5' ' ' LYS . 65.6 m-85 -124.37 129.06 50.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.872 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -143.01 122.91 13.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.4 HG22 ' N ' ' A' ' 24' ' ' ARG . 5.3 mp -98.1 151.7 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.174 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.4 ' N ' HG22 ' A' ' 23' ' ' ILE . 24.2 ttt180 -127.92 161.11 29.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -105.82 122.57 46.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.0 m -137.25 173.99 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.49 153.64 15.55 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.466 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -63.31 161.82 13.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.93 0.395 . . . . 0.0 110.903 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -43.65 -49.54 7.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -62.53 -53.04 60.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.2 ptm180 -97.09 86.98 4.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.828 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -91.07 141.76 28.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.3 ttmt -141.52 162.71 34.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -126.16 114.67 18.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.9 mtp -98.43 118.6 35.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 15.3 t -113.05 134.95 54.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -132.13 146.19 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.81 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 7.1 p -121.14 149.37 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 13.6 mtp-105 -137.8 137.78 38.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.88 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.4 t -128.09 123.52 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -48.36 144.99 3.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.96 -41.66 2.49 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.519 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -97.14 161.3 13.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -102.08 -46.7 4.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -61.92 145.73 51.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.81 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -132.88 125.69 30.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.08 132.18 45.71 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.462 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -124.09 140.87 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.881 0.372 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.05 133.47 5.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.539 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -114.54 121.42 43.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.6 m -150.4 170.61 18.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 81.2 p -86.8 -23.23 25.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -111.26 143.66 41.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -55.13 -54.62 40.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -53.62 -55.23 27.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.936 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -50.16 -55.7 14.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -50.08 -44.78 52.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.105 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -56.9 -47.49 80.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.964 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.0 m -56.03 -43.65 78.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.835 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.3 m-20 -64.11 -51.32 64.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -43.42 -54.77 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.121 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.21 -58.02 9.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.5 tpt180 -43.34 -57.09 3.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -43.38 -54.56 4.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -56.21 -50.92 69.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 64.6 t -42.41 -48.58 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -52.83 -37.96 60.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.433 ' CE1' HD13 ' A' ' 72' ' ' ILE . 28.3 t80 -72.42 -30.95 65.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 mt -71.76 -26.83 62.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.962 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 75' ' ' VAL . 87.3 t -87.35 -37.47 11.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.157 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 11.6 ptt180 -64.36 -31.8 73.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.433 HD13 ' CE1' ' A' ' 68' ' ' TYR . 16.6 pt -85.51 -0.15 6.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.3 t30 70.69 37.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -105.02 -23.52 12.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.418 ' O ' HG22 ' A' ' 70' ' ' VAL . 95.7 t -139.82 134.43 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -88.42 127.1 35.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.94 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -47.56 -37.63 12.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.11 -33.11 1.39 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -85.26 -35.54 21.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.442 HG13 ' HD2' ' A' ' 81' ' ' PRO . 87.8 t -63.15 133.12 95.32 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.623 0.725 . . . . 0.0 111.129 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.442 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.76 158.16 57.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.644 2.229 . . . . 0.0 112.389 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.2 159.62 15.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.452 ' O ' ' C ' ' A' ' 84' ' ' GLY . 0.2 OUTLIER -100.13 112.46 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.099 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 83' ' ' VAL . . . -33.96 -91.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.472 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.432 HD13 ' N ' ' A' ' 85' ' ' ILE . 0.1 OUTLIER -71.05 132.26 33.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.879 0.371 . . . . 0.0 111.167 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 67.4 t -131.71 82.48 60.59 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.589 0.709 . . . . 0.0 111.134 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 167.83 23.29 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.635 2.224 . . . . 0.0 112.375 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 147.64 63.24 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.82 31.34 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.3 m -99.19 83.39 2.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -140.01 84.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 137.64 35.92 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.704 2.269 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 76.9 p -59.8 149.11 32.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 54.0 m -156.54 132.64 9.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.456 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.2 t -120.58 -47.72 2.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.845 0.355 . . . . 0.0 110.869 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 59.4 m -63.31 103.5 0.51 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 76.29 168.99 28.02 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.479 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 47.3 t -139.22 144.06 38.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.846 -179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -104.36 95.9 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -175.51 -173.2 41.04 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.537 HD11 HG21 ' A' ' 66' ' ' VAL . 6.3 tp -80.97 -30.93 11.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.917 0.389 . . . . 0.0 111.121 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -55.61 32.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -48.74 -40.49 28.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.49 ' CE2' HG22 ' A' ' 80' ' ' VAL . 80.7 t80 -56.79 -57.06 14.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.0 tp -60.45 -57.3 13.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.955 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.5 t80 -47.55 -56.73 6.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.66 77.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.551 ' NE1' HG22 ' A' ' 75' ' ' VAL . 89.8 t90 -51.59 -54.15 30.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.928 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 m -59.75 -50.76 72.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -46.08 -43.91 13.67 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -63.66 -32.79 74.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.807 0.337 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 26.8 mtp85 -92.42 29.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 49.57 40.89 20.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.7 mtm -124.5 155.89 38.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.422 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 23.2 m -134.92 101.59 11.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.169 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.5 Cg_endo -69.81 132.37 23.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.312 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.3 143.92 26.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.068 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -125.54 117.59 23.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -122.31 122.76 39.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.434 HD11 ' CG ' ' A' ' 58' ' ' GLN . 21.1 mt -107.75 128.14 63.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.6 mmm-85 -111.04 158.94 18.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -104.42 130.86 52.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.625 HG23 ' HB3' ' A' ' 33' ' ' LYS . 12.2 m -143.08 174.9 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.167 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.37 151.29 27.32 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -76.68 160.64 29.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.938 0.399 . . . . 0.0 110.85 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.05 -25.78 0.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.926 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.452 ' ND2' ' HG2' ' A' ' 31' ' ' ARG . 4.1 t30 -74.97 -53.8 8.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HG2' ' ND2' ' A' ' 30' ' ' ASN . 28.3 mmm-85 -117.04 107.26 14.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 13.5 tm0? -90.03 139.74 30.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.625 ' HB3' HG23 ' A' ' 26' ' ' VAL . 28.1 tptt -145.23 155.2 43.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.942 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -125.65 137.95 53.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 73.0 mtp -116.74 113.25 22.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.4 t -105.41 127.91 53.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -123.21 136.6 54.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.0 p -115.57 144.67 22.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.466 ' HG2' ' HB2' ' A' ' 46' ' ' ALA . 14.6 mtp-105 -138.44 140.79 39.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.904 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 77.9 t -125.49 124.27 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -47.34 137.04 8.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 103.01 -42.82 1.8 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -96.29 143.56 27.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -84.76 -42.35 15.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 68.7 t80 -63.38 148.37 48.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.968 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.466 ' HB2' ' HG2' ' A' ' 39' ' ' ARG . . . -130.88 139.66 50.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.0 131.89 14.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.515 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -113.56 131.34 56.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -138.97 132.39 5.7 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -119.06 144.98 46.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.845 0.355 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -174.15 149.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 41.6 p -65.25 -32.97 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -110.22 127.61 55.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.886 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.6 mttm -46.42 -52.94 12.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -41.82 -55.27 3.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -66.11 -47.03 75.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -46.91 -54.34 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.434 ' CG ' HD11 ' A' ' 23' ' ' ILE . 49.2 mt-30 -48.6 -46.49 39.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.898 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.5 m -60.08 -44.35 94.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -59.5 -52.29 66.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -44.83 -57.7 3.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.065 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.22 -50.12 59.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.8 tpt180 -49.39 -53.6 21.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.866 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -49.32 -49.78 42.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' VAL . 48.2 t80 -56.03 -55.67 30.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.537 HG21 HD11 ' A' ' 4' ' ' ILE . 99.5 t -35.81 -51.03 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.113 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 62.6 m-80 -47.49 -47.05 27.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.58 ' CE1' HD13 ' A' ' 72' ' ' ILE . 14.7 t80 -63.59 -38.35 90.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.518 HD23 HD11 ' A' ' 72' ' ' ILE . 29.9 mt -60.14 -41.62 93.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.938 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 76.1 t -68.74 -41.32 82.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.113 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -59.85 -48.67 80.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.58 HD13 ' CE1' ' A' ' 68' ' ' TYR . 25.2 pt -65.61 -9.11 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m120 74.12 42.82 0.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -107.1 -44.08 4.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.551 HG22 ' NE1' ' A' ' 11' ' ' TRP . 93.9 t -117.28 128.19 74.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtp -81.23 126.95 32.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.3 p -46.12 -35.8 5.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.849 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -44.64 -34.54 2.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -86.13 -37.58 18.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.659 HG13 ' HD2' ' A' ' 81' ' ' PRO . 99.3 t -64.81 138.9 97.62 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.61 0.719 . . . . 0.0 111.135 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.659 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.2 Cg_endo -69.77 150.13 67.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.99 158.94 22.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.86 -6.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 174.06 -144.91 7.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.434 ' O ' ' C ' ' A' ' 86' ' ' VAL . 5.3 pt -94.47 119.78 42.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.914 0.388 . . . . 0.0 111.121 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.458 ' N ' ' CD ' ' A' ' 87' ' ' PRO . 27.6 m 34.35 53.56 1.45 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.599 0.714 . . . . 0.0 111.106 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 86' ' ' VAL . 54.1 Cg_endo -69.71 148.68 65.9 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 148.7 65.81 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.692 2.261 . . . . 0.0 112.341 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 100.86 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.633 2.222 . . . . 0.0 112.381 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 90.9 p -173.6 145.34 1.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.98 170.56 29.19 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.53 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 142.9 49.17 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.688 2.259 . . . . 0.0 112.368 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -124.88 132.86 53.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.2 p -88.21 -54.61 4.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.865 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 4.4 m -83.56 107.29 15.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 83.9 p -85.1 157.6 20.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.882 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 72.43 157.89 3.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 68.4 m -65.95 149.11 50.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.851 0.358 . . . . 0.0 110.877 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.5 m -97.34 -59.21 1.83 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 89.46 -154.81 24.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.58 HD11 HG21 ' A' ' 66' ' ' VAL . 3.1 tp -106.41 -28.11 2.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.92 0.391 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.14 -29.44 69.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -70.73 -17.31 62.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -86.61 -61.49 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.6 tp -49.2 -49.27 43.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 31.9 t80 -51.25 -54.03 29.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.58 -52.99 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.084 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.423 ' NE1' HG22 ' A' ' 75' ' ' VAL . 85.0 t90 -49.4 -50.81 38.82 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.904 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.9 m -76.91 -17.48 58.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.31 -30.4 56.94 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.469 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -85.45 -29.54 24.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.732 0.301 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 50.4 mtp85 -84.0 19.84 1.68 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.6 mtmm 57.18 48.04 16.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.424 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 54.0 mtm -132.9 159.68 39.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.895 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 27.9 m -136.73 105.06 9.01 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.585 0.707 . . . . 0.0 111.127 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.87 126.92 13.79 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.269 . . . . 0.0 112.284 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.95 124.74 39.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.126 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -108.06 130.13 55.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -138.28 141.07 39.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.891 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.427 HD13 ' HB3' ' A' ' 54' ' ' LYS . 79.8 mt -120.28 143.22 32.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 9.6 ttt-85 -124.93 167.95 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.62 125.88 49.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.435 HG23 ' HB3' ' A' ' 33' ' ' LYS . 2.6 m -143.75 167.03 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.42 167.34 25.61 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.454 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -63.25 177.06 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.874 0.368 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -63.32 -43.87 96.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -77.55 -47.46 19.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -90.28 87.38 6.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.456 ' O ' HG23 ' A' ' 52' ' ' THR . 18.8 tp60 -86.89 141.83 28.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HB3' HG23 ' A' ' 26' ' ' VAL . 11.3 tptm -137.37 156.12 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -129.9 124.27 32.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.0 mtm -109.44 138.71 45.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.8 t -125.13 148.82 48.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -147.17 123.81 11.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.51 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 7.8 p -107.63 133.13 53.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.7 mtt180 -123.67 134.36 53.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.424 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 67.4 t -121.44 118.3 55.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -45.91 123.04 4.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.45 -38.33 3.07 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 -99.99 157.04 16.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.827 0.346 . . . . 0.0 110.905 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -97.25 -39.81 9.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -70.93 142.95 51.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.95 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -131.99 123.04 26.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.104 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.53 118.23 4.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 13.8 mtp -107.8 119.99 40.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.347 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -129.17 146.08 16.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.449 ' N ' ' ND2' ' A' ' 50' ' ' ASN . 0.1 OUTLIER -137.95 133.95 34.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.85 -179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -167.81 133.47 1.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.456 HG23 ' O ' ' A' ' 32' ' ' GLN . 26.8 m -40.48 -33.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -102.98 152.43 21.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.427 ' HB3' HD13 ' A' ' 23' ' ' ILE . 69.5 mttt -68.74 -50.54 49.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.426 ' HD3' ' C ' ' A' ' 55' ' ' LYS . 12.7 tmtt? -44.73 -63.4 0.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.95 -54.45 29.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.49 -35.53 13.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.087 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.8 mt-30 -74.48 -38.68 62.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 54.0 p -69.09 -28.4 66.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.85 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -75.59 -46.88 29.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.71 -43.73 69.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.516 ' HB3' HG23 ' A' ' 4' ' ' ILE . . . -67.37 -31.51 71.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HG2' HG21 ' A' ' 4' ' ' ILE . 7.4 mmt85 -74.15 -47.9 32.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -51.59 -58.78 5.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.521 ' CE2' HD11 ' A' ' 69' ' ' LEU . 43.8 t80 -45.47 -57.32 4.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.818 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.58 HG21 HD11 ' A' ' 4' ' ' ILE . 31.7 t -43.53 -53.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -48.87 -38.02 21.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.575 ' CZ ' HG21 ' A' ' 72' ' ' ILE . 20.4 t80 -74.62 -38.48 62.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.913 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.686 HD13 HG21 ' A' ' 75' ' ' VAL . 37.5 mt -57.21 -40.2 76.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.903 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.95 -39.94 82.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.157 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -60.92 -47.43 86.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.575 HG21 ' CZ ' ' A' ' 68' ' ' TYR . 27.7 pt -71.13 -4.24 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.183 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 22.4 t30 69.72 43.46 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -112.67 -23.0 10.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.686 HG21 HD13 ' A' ' 69' ' ' LEU . 69.1 t -133.14 128.74 56.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.093 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -83.77 134.2 34.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.2 p -57.34 -22.12 40.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -57.85 -27.76 63.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -92.81 -35.96 13.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 81' ' ' PRO . 85.8 t -61.99 138.69 95.78 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.633 0.73 . . . . 0.0 111.103 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.9 Cg_endo -69.78 -178.12 2.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.88 157.64 20.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.035 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.48 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -98.43 110.12 25.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.966 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.55 -23.82 4.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.9 mt -105.94 127.94 60.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.665 HG23 ' HD2' ' A' ' 87' ' ' PRO . 4.5 p -157.25 138.77 9.84 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.601 0.715 . . . . 0.0 111.128 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.665 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.5 Cg_endo -69.75 146.98 61.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.643 2.229 . . . . 0.0 112.352 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 153.82 68.4 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 120.49 7.26 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.686 2.258 . . . . 0.0 112.283 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t 64.66 42.38 4.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -108.18 -162.65 20.94 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 98.63 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.715 2.277 . . . . 0.0 112.331 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.6 t -66.91 169.59 7.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.795 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.8 p -127.73 -40.54 1.73 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.855 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 6.2 m -50.31 133.38 24.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.919 0.39 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.1 m 40.59 50.4 2.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.825 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -98.88 -37.77 4.07 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.2 m -118.82 167.66 11.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.886 0.374 . . . . 0.0 110.837 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 t -151.91 165.49 34.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.824 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 153.66 -75.55 0.23 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.657 HD11 HG21 ' A' ' 66' ' ' VAL . 6.6 tp -117.04 -36.77 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.885 0.374 . . . . 0.0 111.16 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 21' ' ' TYR . 2.5 mmmp? -60.32 -38.73 84.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -62.29 -13.31 27.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -92.2 -58.61 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.2 tp -63.53 -34.95 78.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -62.36 -59.74 4.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.53 -49.88 74.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.065 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.46 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 82.1 t90 -47.14 -53.4 13.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.8 t -57.74 -40.31 79.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.908 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -62.36 -44.36 97.76 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 20.6 mmtp -55.77 -35.97 66.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.937 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.46 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 26.2 mtp85 -88.24 13.13 12.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.0 tttt 65.61 47.32 2.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.91 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 66.3 mtm -142.51 156.82 45.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.8 m -136.29 124.29 14.95 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.569 0.7 . . . . 0.0 111.165 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 147.76 63.66 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -119.71 116.95 26.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.494 ' CZ ' ' HE2' ' A' ' 5' ' ' LYS . 34.4 m-85 -102.49 144.58 30.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -143.69 115.37 8.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 55.3 mt -88.02 137.08 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.5 tpt180 -125.39 157.53 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.96 128.93 55.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -147.56 175.64 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.118 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 91.84 168.36 40.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.462 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -77.92 165.57 23.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.88 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -45.14 -55.38 5.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.1 m-80 -68.63 -50.6 50.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -96.43 86.0 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -96.9 151.26 19.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tptm -145.82 158.63 43.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -127.18 124.78 39.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.889 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtt -106.75 143.07 35.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.87 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.5 t -138.27 121.86 17.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.51 ' HG2' ' HB1' ' A' ' 46' ' ' ALA . 21.8 tt0 -115.78 141.76 47.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.558 HG13 ' O ' ' A' ' 38' ' ' VAL . 9.9 p -120.48 120.73 63.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.71 142.28 41.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 79.0 t -127.6 132.6 68.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -51.8 141.37 17.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 89.82 -29.64 6.25 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.505 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 33.4 m-85 -107.48 149.41 27.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -95.27 -34.98 11.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -67.88 148.31 51.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' HG2' ' A' ' 37' ' ' GLU . . . -134.91 120.66 19.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.54 113.75 0.55 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.5 mtp -94.2 122.32 36.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.781 0.324 . . . . 0.0 110.874 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.44 138.27 9.92 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -140.25 126.62 20.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.874 0.369 . . . . 0.0 110.894 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 t -161.03 145.56 13.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 m -52.57 -26.87 14.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.135 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -95.15 154.78 17.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -83.11 -30.75 27.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.02 -35.19 43.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -69.22 -52.08 31.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.45 -31.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -66.52 -52.36 46.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.8 t -54.93 -40.92 70.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -64.25 -41.55 96.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.909 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.54 -58.51 7.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.071 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.67 -63.02 1.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.406 ' HD2' ' C ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -42.42 -51.88 4.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.858 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -51.07 -44.47 61.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -60.81 -55.0 38.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.927 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.657 HG21 HD11 ' A' ' 4' ' ' ILE . 97.4 t -40.71 -47.05 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -54.11 -39.57 66.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' CE2' HD13 ' A' ' 72' ' ' ILE . 22.1 t80 -69.76 -37.1 76.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.441 HD23 HD11 ' A' ' 72' ' ' ILE . 29.6 mt -59.15 -47.57 84.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.487 HG22 ' O ' ' A' ' 75' ' ' VAL . 85.9 t -61.69 -42.12 93.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.0 mmm-85 -57.82 -46.48 84.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.525 HD13 ' CE2' ' A' ' 68' ' ' TYR . 39.7 pt -75.08 1.95 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m120 66.05 42.0 3.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 51.5 mm-40 -105.79 -25.27 12.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' HG22 ' A' ' 70' ' ' VAL . 98.9 t -140.41 130.89 29.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.151 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.8 mttp -82.91 137.1 34.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.844 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.3 p -56.76 -26.67 58.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -56.85 -13.51 2.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -102.93 -35.07 8.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.879 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 81' ' ' PRO . 98.3 t -62.89 138.81 97.24 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.572 0.701 . . . . 0.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 80' ' ' VAL . 54.2 Cg_endo -69.7 159.79 52.15 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.36 148.29 28.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.106 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.57 108.98 22.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -112.85 -67.5 0.51 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.7 pt -102.12 142.91 15.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.918 0.39 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.586 HG23 ' HD2' ' A' ' 87' ' ' PRO . 8.2 p -168.4 137.6 1.92 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.639 0.733 . . . . 0.0 111.102 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.586 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.8 Cg_endo -69.75 110.31 2.52 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 155.17 66.44 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.652 2.235 . . . . 0.0 112.372 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 83.62 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.9 m -84.12 93.05 8.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.899 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.48 -85.68 1.6 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.45 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 133.41 25.56 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.5 t -60.81 136.97 58.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 95' ' ' GLY . 3.5 m -94.64 117.49 30.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 69.7 m -63.32 171.9 2.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 12.1 t -60.92 -53.32 58.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.823 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 112.89 -144.32 17.98 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.441 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 83.2 p -76.17 105.88 7.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.841 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -105.19 138.41 41.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.87 -123.26 0.73 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.458 HD11 HG21 ' A' ' 66' ' ' VAL . 9.0 tp -83.17 -26.75 7.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.125 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.56 -40.96 96.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -69.93 -28.62 65.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.9 t80 -64.82 -57.23 9.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.473 HD23 ' OH ' ' A' ' 21' ' ' TYR . 60.0 tp -60.43 -58.19 9.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -44.16 -56.37 4.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.57 -54.29 45.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.099 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.574 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 84.6 t90 -47.9 -59.26 3.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.9 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -52.78 -52.8 55.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.14 -45.21 43.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.48 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 29.3 mmtm -58.52 -28.69 65.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.79 0.329 . . . . 0.0 110.867 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.574 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 25.9 mtp85 -99.58 22.81 10.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 tptt 57.64 50.09 11.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 63.3 mtm -132.71 151.94 51.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.43 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 16.7 m -133.9 101.59 12.67 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.65 0.738 . . . . 0.0 111.168 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.43 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 54.1 Cg_endo -69.72 138.85 38.93 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.703 2.269 . . . . 0.0 112.337 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -110.73 128.6 55.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.473 ' OH ' HD23 ' A' ' 8' ' ' LEU . 57.5 m-85 -107.67 139.95 41.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 67.6 tt0 -138.28 118.02 13.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.411 HD13 ' HB3' ' A' ' 54' ' ' LYS . 77.6 mt -96.74 119.96 45.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.089 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -102.39 164.72 11.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -109.78 117.4 33.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.8 m -137.35 175.97 8.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 106.42 -165.34 13.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -103.98 152.8 21.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.883 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -22.84 0.26 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.883 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -89.32 -53.91 4.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.919 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -103.15 95.16 5.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -72.25 140.87 48.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.7 mtmt -134.78 154.65 51.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -131.07 123.88 29.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 38.4 mtt -104.94 124.93 50.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.8 t -104.95 143.23 33.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.87 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -140.68 129.03 22.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.525 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 11.8 p -120.17 124.63 73.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.532 ' HD3' ' HB2' ' A' ' 46' ' ' ALA . 14.8 mmt85 -114.59 148.48 37.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 84.2 t -140.74 121.93 14.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.076 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -43.49 148.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.52 -43.06 2.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.53 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -97.23 157.25 16.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -102.34 -40.92 6.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -70.96 147.54 48.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.532 ' HB2' ' HD3' ' A' ' 39' ' ' ARG . . . -131.7 141.99 49.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.069 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.09 107.71 2.07 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.8 mtp -96.55 131.59 43.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.761 0.315 . . . . 0.0 110.913 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -137.38 138.7 9.91 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 p-10 -127.64 131.24 49.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.863 0.363 . . . . 0.0 110.918 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -167.08 146.4 5.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.2 p -56.42 -25.6 50.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.139 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -110.97 162.05 15.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.411 ' HB3' HD13 ' A' ' 23' ' ' ILE . 34.0 mttt -79.62 -51.97 8.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -43.87 -59.11 2.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -57.59 -54.72 43.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.37 -42.94 3.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.2 mm-40 -60.13 -46.77 88.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 36.7 m -56.51 -45.28 81.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.828 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -57.54 -50.33 73.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -51.15 -61.0 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.804 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -49.42 -62.67 1.41 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.4 tpt85 -44.71 -50.75 9.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.849 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.81 -68.21 0.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.83 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.6 t80 -45.58 -45.07 13.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.804 HG23 ' O ' ' A' ' 62' ' ' ALA . 66.3 t -51.26 -43.52 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -59.11 -38.79 80.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.954 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.504 ' CZ ' HG21 ' A' ' 72' ' ' ILE . 34.1 t80 -64.26 -34.8 78.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.579 HD13 HG21 ' A' ' 75' ' ' VAL . 62.0 mt -60.27 -45.8 92.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.8 t -62.12 -40.31 87.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -61.54 -43.9 98.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.504 HG21 ' CZ ' ' A' ' 68' ' ' TYR . 40.7 pt -77.89 -0.58 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 67.31 47.22 1.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -113.49 -21.27 10.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.579 HG21 HD13 ' A' ' 69' ' ' LEU . 96.8 t -139.53 142.03 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.082 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -91.32 136.29 33.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 p -59.67 -24.88 64.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -61.35 -18.02 56.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.857 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -99.01 -34.21 10.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.673 HG13 ' HD2' ' A' ' 81' ' ' PRO . 98.8 t -68.48 138.92 91.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.616 0.722 . . . . 0.0 111.129 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.673 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.9 Cg_endo -69.77 164.41 34.63 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.355 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 84' ' ' GLY . . . -78.7 149.45 32.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.437 HG23 ' H ' ' A' ' 83' ' ' VAL . 0.4 OUTLIER -65.96 72.29 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ALA . . . -163.65 113.73 0.57 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.5 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 18.5 mt -106.94 130.19 59.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.902 0.382 . . . . 0.0 111.083 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.1 m -73.33 144.43 84.2 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.633 0.73 . . . . 0.0 111.143 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 149.53 66.98 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.641 2.228 . . . . 0.0 112.357 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 150.14 67.72 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.306 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -41.44 4.24 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.1 m -50.98 161.83 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -123.65 83.21 0.36 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.536 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 133.08 24.76 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.653 2.235 . . . . 0.0 112.365 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.9 p -45.82 138.44 4.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.834 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.8 p -138.52 121.72 16.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.904 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.471 -179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 11.1 p -154.06 131.43 11.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.7 t -90.59 152.85 20.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -162.2 90.66 0.11 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.0 m -96.88 116.01 28.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.836 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.2 m -79.35 131.52 36.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 117.41 -171.02 13.7 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.532 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.67 HD11 HG21 ' A' ' 66' ' ' VAL . 9.3 tp -115.68 -26.66 2.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.382 . . . . 0.0 111.117 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 7.6 tmtt? -66.05 -40.27 90.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -71.27 -20.76 62.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -71.88 -60.19 2.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.41 HD23 ' OH ' ' A' ' 21' ' ' TYR . 54.4 tp -54.8 -48.87 72.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -52.74 -60.95 2.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.59 -50.07 63.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.099 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 86.1 t90 -52.08 -49.23 63.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.9 m -64.5 -48.36 75.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -48.81 -42.92 29.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.523 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 36.4 mttp -57.73 -38.29 75.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.723 0.297 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 32.5 mtp180 -87.68 27.42 1.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.86 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tptt 53.36 39.16 29.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.448 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 32.0 mtm -120.16 156.14 31.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.413 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 40.3 m -134.64 101.54 11.82 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.597 0.713 . . . . 0.0 111.164 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.9 Cg_endo -69.71 135.96 31.91 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.722 2.281 . . . . 0.0 112.358 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -105.25 128.7 53.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' OH ' HD23 ' A' ' 8' ' ' LEU . 55.2 m-85 -108.48 131.09 55.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.969 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -130.19 155.26 46.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.5 HD13 ' HG2' ' A' ' 54' ' ' LYS . 84.6 mt -129.8 139.56 51.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.116 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -130.92 157.49 42.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -100.55 130.6 46.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.1 m -140.22 171.38 13.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.63 -166.83 34.66 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -107.53 157.99 17.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.902 0.382 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -42.6 -46.67 5.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.886 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -63.22 -51.49 66.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -102.91 80.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -67.52 132.42 47.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -137.02 155.9 49.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -130.22 134.65 47.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.903 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.7 mtt -117.7 118.67 32.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.3 t -108.42 141.33 40.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 53.4 mp0 -136.53 131.93 34.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.493 HG12 ' O ' ' A' ' 47' ' ' GLY . 2.5 p -117.24 131.34 70.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 18.0 mtp180 -119.69 148.42 43.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.448 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 73.3 t -137.38 116.16 14.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.147 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -43.83 134.9 4.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 106.41 -40.26 2.57 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.53 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -98.14 159.17 15.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.926 0.393 . . . . 0.0 110.861 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -97.41 -42.13 7.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -71.83 148.51 46.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.908 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -130.28 133.69 46.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.493 ' O ' HG12 ' A' ' 38' ' ' VAL . . . -62.07 100.55 0.3 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.8 ptm -105.91 123.87 48.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.52 134.13 6.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -111.91 137.21 50.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.809 0.338 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.2 m -162.5 138.78 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.9 p -46.46 -38.94 9.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.42 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 6.5 p-10 -108.95 153.05 24.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.884 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.5 ' HG2' HD13 ' A' ' 23' ' ' ILE . 4.2 mtmp? -64.33 -49.7 70.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.4 mtmp? -38.35 -65.53 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -56.56 -50.8 70.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.845 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.79 -57.13 2.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.485 ' NE2' ' O ' ' A' ' 54' ' ' LYS . 2.8 mp0 -54.85 -38.79 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.2 m -67.08 -35.3 79.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 71.1 m-20 -72.88 -38.05 67.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -57.92 -56.42 22.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.09 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.777 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -55.32 -56.79 16.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.086 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.6 tpt85 -51.49 -47.98 63.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.86 -59.76 3.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -55.55 -45.54 77.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.777 HG23 ' O ' ' A' ' 62' ' ' ALA . 65.0 t -47.13 -39.16 4.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.172 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 32.8 m-20 -64.87 -34.08 77.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.0 t80 -70.69 -31.98 69.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.958 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.47 HD23 HD11 ' A' ' 72' ' ' ILE . 39.1 mt -67.84 -41.45 82.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.455 HG22 ' O ' ' A' ' 75' ' ' VAL . 67.5 t -69.43 -33.86 59.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.174 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -66.28 -32.59 74.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.47 HD11 HD23 ' A' ' 69' ' ' LEU . 26.3 pt -89.55 9.28 2.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 61.58 43.76 9.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -108.21 -31.6 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.455 ' O ' HG22 ' A' ' 70' ' ' VAL . 64.2 t -136.6 141.81 39.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.65 133.53 35.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.3 t -52.31 -33.12 40.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -50.35 -19.75 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.36 -37.55 10.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.502 HG13 ' HD2' ' A' ' 81' ' ' PRO . 24.4 t -66.3 136.92 95.32 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.617 0.723 . . . . 0.0 111.123 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.502 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.8 149.03 66.1 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.673 2.249 . . . . 0.0 112.338 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.47 143.01 28.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.477 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -98.03 109.78 24.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.119 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 110.23 103.09 2.75 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.432 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 85' ' ' ILE . 4.0 mp -80.79 143.11 12.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.894 0.378 . . . . 0.0 111.149 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.657 HG23 ' HD2' ' A' ' 87' ' ' PRO . 4.4 p -174.97 138.78 0.6 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.59 0.709 . . . . 0.0 111.121 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.657 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.7 Cg_endo -69.8 110.37 2.55 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 155.1 66.93 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.711 2.274 . . . . 0.0 112.354 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 173.03 11.54 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.377 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.6 t -108.76 -49.66 3.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -129.52 153.26 19.85 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 134.19 27.4 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.698 2.265 . . . . 0.0 112.351 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.0 p -113.64 30.71 7.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.3 m -78.46 95.46 5.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.489 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 21.5 m -70.13 84.75 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.891 0.377 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 10.7 t -46.73 106.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -52.39 118.26 7.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.9 m -84.74 -53.82 5.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 110.872 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 55.45 53.77 9.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.875 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -117.15 163.03 12.62 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.53 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 1.08 HD11 HG21 ' A' ' 66' ' ' VAL . 5.3 tp -74.66 -11.87 14.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.896 0.379 . . . . 0.0 111.1 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.24 -58.33 3.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -54.14 -30.42 49.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.424 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 8.5 t80 -63.9 -56.53 14.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.894 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD11 ' CD2' ' A' ' 65' ' ' PHE . 28.4 tp -56.18 -54.45 45.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -49.35 -49.28 45.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.94 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.96 -49.76 73.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.444 ' NE1' HG22 ' A' ' 75' ' ' VAL . 86.8 t90 -53.84 -46.43 71.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.0 m -77.33 -11.34 59.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.47 -28.75 31.99 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.44 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -81.86 -26.76 33.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.804 0.335 . . . . 0.0 110.878 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.425 ' NH1' ' HB3' ' A' ' 15' ' ' ARG . 8.0 mtp-105 -89.4 16.1 8.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? 61.95 47.78 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.458 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 49.6 mtm -131.62 154.24 49.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 m -132.84 101.68 13.9 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 111.133 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.62 35.81 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -112.59 133.36 54.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.423 ' OH ' HD23 ' A' ' 8' ' ' LEU . 65.9 m-85 -107.61 136.82 46.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -145.5 119.48 9.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.909 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.581 HG21 ' HG2' ' A' ' 54' ' ' LYS . 5.4 mp -103.81 126.75 58.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -102.55 164.49 11.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.21 126.28 52.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.405 HG23 ' HB2' ' A' ' 33' ' ' LYS . 28.6 m -144.76 175.07 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 101.0 178.9 29.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -86.26 165.64 16.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.888 0.375 . . . . 0.0 110.878 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.75 -10.94 6.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.837 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.418 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 4.2 t-20 -94.44 -51.63 4.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 -111.97 96.34 6.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.408 ' NE2' ' CZ ' ' A' ' 34' ' ' PHE . 15.1 tt0 -72.94 141.28 47.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HB2' HG23 ' A' ' 26' ' ' VAL . 20.2 mtmm -130.86 155.69 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.429 ' HB3' ' CG2' ' A' ' 23' ' ' ILE . 47.9 m-85 -130.95 126.45 36.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtt -111.72 111.47 22.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.883 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.3 t -99.56 135.63 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -132.71 133.61 43.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.874 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 38' ' ' VAL . 10.2 p -118.14 117.59 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.6 mtt85 -107.75 135.66 48.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.458 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 99.2 t -122.39 130.31 74.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -56.9 139.94 50.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 95.5 -41.98 2.4 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.459 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -95.53 150.92 19.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -91.88 -30.04 16.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.954 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.517 ' HB3' ' CE2' ' A' ' 68' ' ' TYR . 13.1 t80 -74.27 144.85 44.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.64 112.19 10.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.07 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.21 114.65 0.52 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.8 ptt? -107.57 135.97 48.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 110.868 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -148.57 146.26 15.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -132.54 140.12 48.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.898 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 24.7 m -169.26 151.98 4.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.6 p -63.86 -7.64 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 0.9 OUTLIER -138.08 158.08 45.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.581 ' HG2' HG21 ' A' ' 23' ' ' ILE . 65.9 mttt -72.13 -57.08 4.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' LYS . 15.8 mtpt -35.74 -48.14 0.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.885 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.446 ' O ' ' N ' ' A' ' 59' ' ' SER . 2.7 m-20 -71.96 -59.08 2.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.41 -32.13 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -66.73 -41.62 87.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 56' ' ' ASP . 17.2 t -66.53 -37.47 85.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 28.6 m-20 -64.57 -46.6 82.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -59.53 -48.02 83.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.837 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -62.31 -34.59 76.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.148 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.5 mmm180 -72.57 -44.31 62.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.458 ' HA ' ' ND2' ' A' ' 67' ' ' ASN . 38.9 t70 -55.0 -51.59 65.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CD2' HD11 ' A' ' 8' ' ' LEU . 42.9 t80 -61.29 -49.82 75.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.08 HG21 HD11 ' A' ' 4' ' ' ILE . 76.2 t -49.69 -58.57 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.458 ' ND2' ' HA ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -53.01 -35.24 59.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.517 ' CE2' ' HB3' ' A' ' 45' ' ' TYR . 22.1 t80 -68.61 -37.63 79.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HB3' HG23 ' A' ' 75' ' ' VAL . 72.4 mt -60.0 -41.44 92.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 94.8 t -65.93 -42.0 91.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.175 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -57.75 -43.3 85.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.415 HD12 ' HG2' ' A' ' 74' ' ' GLU . 30.9 pt -79.82 7.37 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.03 44.61 10.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.415 ' HG2' HD12 ' A' ' 72' ' ' ILE . 12.5 mm-40 -110.49 -24.1 10.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.521 HG23 ' HB3' ' A' ' 69' ' ' LEU . 90.3 t -137.05 141.02 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.093 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 7.7 mtmp? -92.9 135.59 34.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.945 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.5 p -59.06 -30.72 68.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.63 -23.2 16.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -92.06 -38.19 12.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.664 HG13 ' HD2' ' A' ' 81' ' ' PRO . 84.3 t -63.13 138.69 97.4 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.635 0.731 . . . . 0.0 111.166 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.664 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.71 169.19 19.43 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.691 2.261 . . . . 0.0 112.352 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -115.78 167.29 11.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.076 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -96.91 108.61 21.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -129.17 43.63 1.29 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 8.3 pt -85.37 147.14 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 24.6 m -96.59 142.91 25.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.608 0.718 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 149.02 66.27 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.677 2.251 . . . . 0.0 112.34 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.93 65.78 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.692 2.261 . . . . 0.0 112.307 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.406 ' O ' ' C ' ' A' ' 90' ' ' SER . 53.8 Cg_endo -69.77 -7.06 20.1 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.708 2.272 . . . . 0.0 112.353 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' PRO . 41.8 m -38.2 157.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.45 76.09 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 159.51 53.12 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 88.0 p -129.62 -38.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.864 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.1 p -47.93 -47.72 32.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.854 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.9 t -160.96 131.48 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.86 0.362 . . . . 0.0 110.882 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 88.2 p -94.35 128.85 41.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -142.72 74.21 0.34 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.9 t 59.65 44.75 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.866 0.365 . . . . 0.0 110.829 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.2 p -88.12 86.98 7.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -158.97 -77.22 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.53 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.744 HD11 HG21 ' A' ' 66' ' ' VAL . 2.6 tp -115.84 -36.18 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 0.0 111.103 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 tmtt? -52.35 -35.61 51.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 36.0 t-20 -68.81 -24.76 64.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -76.7 -57.96 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.9 tp -56.51 -47.83 78.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 49.0 t80 -57.26 -39.11 74.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.67 -50.77 33.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.106 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.503 ' NE1' HG22 ' A' ' 75' ' ' VAL . 85.3 t90 -60.3 -34.84 74.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.5 p -74.83 -39.5 61.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -47.86 -44.96 25.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.492 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -64.31 -38.39 90.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.725 0.298 . . . . 0.0 110.852 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 36.6 mtp180 -82.02 13.59 3.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.2 mtmt 50.38 45.73 25.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 28.4 mtm -128.0 159.15 35.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.2 m -142.42 112.36 6.02 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.616 0.722 . . . . 0.0 111.121 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 137.82 36.41 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.647 2.232 . . . . 0.0 112.339 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -102.49 125.24 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -101.45 133.68 45.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.924 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -134.22 116.31 15.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 49.9 mt -101.75 133.57 44.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -118.43 159.23 23.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -103.43 116.88 33.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.7 m -134.54 170.41 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.07 158.83 34.82 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.49 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -65.27 153.86 39.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' HD3' ' N ' ' A' ' 30' ' ' ASN . 0.0 OUTLIER -49.62 -32.79 13.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.84 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.473 ' N ' ' HD3' ' A' ' 29' ' ' LYS . 25.3 m-20 -70.86 -49.98 40.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 77.4 mtp180 -105.16 87.16 2.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 38.8 tp60 -65.85 134.35 52.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.9 mmtp -140.58 147.87 40.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.431 ' CD2' ' O ' ' A' ' 52' ' ' THR . 22.6 m-85 -123.68 145.96 48.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 77.6 mtp -126.46 114.14 17.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.5 t -101.65 146.71 27.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 mp0 -141.96 120.32 12.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.88 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.538 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 13.4 p -106.61 127.1 62.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -121.43 132.98 55.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 63.5 t -123.6 128.78 74.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -50.77 154.07 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.832 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.85 -40.08 2.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.448 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 34.3 m-85 -100.09 140.92 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.87 0.367 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -84.02 -31.89 25.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -74.81 146.36 42.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.948 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.538 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -134.54 121.21 20.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -41.45 133.61 3.39 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.477 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.6 ptp -118.6 129.7 55.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' C ' ' OD1' ' A' ' 50' ' ' ASN . . . -148.12 132.87 4.38 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.449 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.402 ' OD1' ' C ' ' A' ' 49' ' ' GLY . 1.5 m-20 -130.6 123.75 30.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.6 t -172.18 129.01 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.829 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.655 HG23 ' OD1' ' A' ' 53' ' ' ASN . 9.9 t -47.11 -20.87 0.19 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.17 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.655 ' OD1' HG23 ' A' ' 52' ' ' THR . 5.1 m-20 -95.57 129.86 42.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.0 mttt -65.14 -47.3 77.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -51.69 -55.68 18.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.969 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -61.62 -54.73 38.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.25 -54.5 2.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -57.27 -52.0 67.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 7.5 t -52.3 -45.7 65.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -61.44 -46.96 87.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -56.89 -58.85 6.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.429 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -55.27 -59.25 5.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.69 -47.55 40.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.44 -41.85 66.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -68.34 -47.25 67.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.881 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.744 HG21 HD11 ' A' ' 4' ' ' ILE . 50.0 t -47.13 -36.11 3.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.117 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 34.5 m-80 -63.98 -47.06 81.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -56.99 -36.52 70.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.472 HD23 HD11 ' A' ' 72' ' ' ILE . 58.8 mt -61.17 -45.26 95.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.7 t -61.62 -39.82 84.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 mmm-85 -60.58 -43.71 97.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.472 HD11 HD23 ' A' ' 69' ' ' LEU . 35.0 pt -78.34 -1.39 4.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.1 t30 66.88 38.93 3.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -101.95 -19.93 15.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.503 HG22 ' NE1' ' A' ' 11' ' ' TRP . 96.7 t -144.81 130.21 14.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -80.14 133.81 36.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 61.2 p -58.0 -17.96 20.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -60.84 -18.73 57.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.84 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -98.54 -30.09 12.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.927 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.675 HG13 ' HD2' ' A' ' 81' ' ' PRO . 90.2 t -67.28 138.75 94.48 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.651 0.739 . . . . 0.0 111.104 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.675 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.7 Cg_endo -69.74 161.3 46.46 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.662 2.241 . . . . 0.0 112.331 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.23 168.75 19.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.65 108.19 21.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.132 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.05 -63.49 0.54 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 86' ' ' VAL . 2.8 pt -96.55 127.19 48.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.843 0.354 . . . . 0.0 111.112 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 85' ' ' ILE . 68.8 t -157.89 126.09 2.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.616 0.722 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.67 152.98 69.87 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.71 2.273 . . . . 0.0 112.346 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 164.69 33.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.654 2.236 . . . . 0.0 112.343 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 113.07 3.26 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.712 2.275 . . . . 0.0 112.338 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 49.8 p -109.85 43.86 1.28 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 87.12 83.22 1.17 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 97.48 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.662 2.241 . . . . 0.0 112.354 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 t -77.83 -54.14 6.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.5 t -90.76 141.41 28.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.516 -179.968 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 3.4 m -54.34 174.96 0.05 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 7.5 t -90.72 -57.26 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.851 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 145.01 160.2 8.44 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.2 t -159.9 151.96 20.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.914 0.388 . . . . 0.0 110.856 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.5 p -154.8 161.51 41.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.67 -155.33 16.27 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.469 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.898 HD11 HG21 ' A' ' 66' ' ' VAL . 6.6 tp -66.73 -30.55 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 111.138 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.8 tmtt? -62.65 -54.91 32.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -50.57 -35.25 29.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -61.52 -54.81 38.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.51 HD23 ' OH ' ' A' ' 21' ' ' TYR . 34.7 tp -61.79 -35.9 79.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.965 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -67.94 -60.14 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.24 -41.85 65.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 89.9 t90 -61.13 -52.56 64.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.8 m -62.21 -33.01 73.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.17 -41.32 99.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.496 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.3 mttt -63.78 -23.47 67.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.774 0.321 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 7.6 mtp180 -102.33 20.63 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.4 mttp 56.26 50.47 13.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 46.9 mtm -131.56 155.45 47.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 27.0 m -138.44 105.02 7.74 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.582 0.706 . . . . 0.0 111.09 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 54.3 Cg_endo -69.77 147.98 64.01 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.647 2.231 . . . . 0.0 112.394 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -115.34 121.6 43.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.092 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.51 ' OH ' HD23 ' A' ' 8' ' ' LEU . 21.7 m-85 -105.15 132.57 51.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -134.82 147.44 49.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.449 HD13 ' HE2' ' A' ' 54' ' ' LYS . 97.4 mt -123.67 144.54 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.8 mtp85 -132.52 155.09 49.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.79 117.22 34.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 m -129.52 169.37 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.45 -171.67 28.14 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.519 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -105.14 172.1 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.871 0.367 . . . . 0.0 110.936 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.6 pttp -57.74 -40.11 78.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -69.74 -43.24 72.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.6 ptp180 -115.33 82.23 1.71 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -72.6 132.49 43.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 35.9 mttm -129.99 156.67 44.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.445 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 31.3 m-85 -131.95 118.33 19.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.5 mtp -94.97 153.72 17.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -145.97 141.38 27.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.871 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -141.27 146.65 37.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 p -128.11 134.41 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 39' ' ' ARG . 14.8 mtp-105 -118.77 150.99 38.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -141.42 135.83 31.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.189 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -60.29 149.4 33.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 86.67 -36.29 3.27 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.441 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -99.63 156.16 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -100.23 -39.63 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -61.45 150.42 35.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.56 104.63 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.099 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.43 129.42 19.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -122.62 153.39 39.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.805 0.336 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -153.73 132.1 3.47 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.517 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -120.84 134.4 55.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.913 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -166.66 139.15 3.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -41.01 -44.39 2.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 52.7 p30 -100.34 161.83 13.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.449 ' HE2' HD13 ' A' ' 23' ' ' ILE . 20.3 mtpt -78.05 -39.82 40.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.893 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -40.52 -68.05 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' SER . 2.9 m-20 -62.27 -54.84 34.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.905 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.85 -34.95 0.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.082 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -75.44 -40.27 57.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 56' ' ' ASP . 4.7 p -66.57 -38.44 87.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -59.29 -42.92 92.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.36 -63.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.104 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -48.06 -44.13 31.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.116 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.46 HH12 HG12 ' A' ' 80' ' ' VAL . 15.7 tpt180 -64.46 -57.5 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' ARG . 1.4 m-20 -35.32 -65.55 0.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.468 ' CD2' HD11 ' A' ' 8' ' ' LEU . 31.8 t80 -39.93 -44.78 1.74 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.898 HG21 HD11 ' A' ' 4' ' ' ILE . 23.0 t -49.46 -49.07 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.149 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.433 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.7 OUTLIER -56.45 -22.31 31.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.885 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -88.93 -27.11 21.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD13 HG21 ' A' ' 75' ' ' VAL . 28.6 mt -72.79 -30.96 64.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 95.1 t -80.33 -34.28 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' HG3' ' N ' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -65.08 -34.06 77.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.434 ' N ' ' HG3' ' A' ' 71' ' ' ARG . 30.2 pt -85.71 2.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.135 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 63.31 34.28 13.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.432 ' HG3' HD12 ' A' ' 72' ' ' ILE . 58.8 mm-40 -98.88 -28.17 13.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.501 HG21 HD13 ' A' ' 69' ' ' LEU . 40.0 t -135.9 137.73 48.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.073 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -81.69 123.02 28.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 m -55.22 -21.62 14.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.827 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -63.6 -16.49 61.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -93.13 -29.33 15.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG12 HH12 ' A' ' 63' ' ' ARG . 96.8 t -67.0 132.09 93.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.611 0.72 . . . . 0.0 111.095 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.406 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.9 Cg_endo -69.79 144.01 52.53 Favored 'Trans proline' 0 C--O 1.231 0.133 0 C-N-CA 122.695 2.263 . . . . 0.0 112.377 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.61 161.51 23.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -98.49 109.92 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.127 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.1 -30.41 3.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.1 pt -106.89 126.93 62.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 111.182 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 28.1 m -131.77 148.46 70.02 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.632 0.73 . . . . 0.0 111.184 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 162.38 42.29 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.637 2.225 . . . . 0.0 112.359 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 162.79 40.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.654 2.236 . . . . 0.0 112.36 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 90' ' ' SER . 54.2 Cg_endo -69.75 -44.56 2.01 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.65 2.233 . . . . 0.0 112.309 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 89' ' ' PRO . 68.6 m -35.66 126.35 0.67 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.836 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 123.04 80.07 0.49 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.473 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 90.51 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.701 2.268 . . . . 0.0 112.346 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -106.19 136.08 46.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.8 t -48.84 126.15 11.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.468 -179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 2.1 m -131.43 118.58 20.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 20.4 m -53.94 -50.22 66.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 138.55 157.71 7.49 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.1 m -157.64 118.51 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.896 0.379 . . . . 0.0 110.858 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -63.59 140.46 58.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 159.64 -125.79 1.54 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.522 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.542 HG21 ' O ' ' A' ' 59' ' ' SER . 6.9 tp -102.28 -29.03 3.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.881 0.372 . . . . 0.0 111.133 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -61.68 -47.61 84.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -56.85 -35.14 68.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -58.59 -68.1 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.669 HD23 ' OH ' ' A' ' 21' ' ' TYR . 53.8 tp -53.74 -42.96 68.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -55.52 -53.38 57.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.63 -50.39 69.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.448 ' NE1' HG22 ' A' ' 75' ' ' VAL . 75.8 t90 -51.96 -41.72 62.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.919 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 10.9 m -73.92 -43.64 57.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.55 -31.09 69.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.444 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -66.87 -24.79 66.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.787 0.327 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 5.4 mtp-105 -106.36 31.74 4.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.824 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.0 mmtp 50.65 49.36 21.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.497 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 31.7 mtm -127.35 154.95 44.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 10.5 m -135.67 104.47 9.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.557 0.694 . . . . 0.0 111.148 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.8 Cg_endo -69.72 135.11 29.7 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.688 2.259 . . . . 0.0 112.323 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -103.43 123.23 46.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.669 ' OH ' HD23 ' A' ' 8' ' ' LEU . 94.7 m-85 -110.09 145.01 37.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -145.6 126.65 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 82.1 mt -107.51 118.72 55.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.149 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 ttt180 -105.71 165.25 11.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -111.95 123.5 50.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.111 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.9 m -137.42 174.19 11.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.115 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 93.83 162.76 36.01 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -75.83 157.19 33.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -45.95 -55.88 6.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.956 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -58.14 -35.57 71.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -115.59 91.63 3.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.856 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.8 tt0 -75.43 142.18 43.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mmmt -143.75 150.12 38.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -129.56 134.6 47.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtt -116.39 138.91 50.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 61' ' ' ALA . 8.1 t -124.95 135.63 53.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -131.07 134.71 46.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -130.99 129.48 63.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.082 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 77.7 mtm180 -128.66 156.81 42.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.497 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 98.9 t -139.79 127.15 24.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.089 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -43.14 151.89 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.863 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 85.98 -43.0 3.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.5 m-85 -93.82 152.1 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -108.91 29.12 7.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -114.2 151.61 32.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.78 104.93 6.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -45.88 121.26 5.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.4 ptm -103.66 119.99 40.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.877 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -136.35 136.13 8.2 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -135.46 135.64 40.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.1 m -172.94 134.44 0.57 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 35.3 p -47.95 -25.26 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.143 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -103.07 143.91 31.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.848 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -67.54 -55.36 13.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.3 ttpm? -46.49 -48.58 19.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.72 -51.99 62.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -49.35 -35.64 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -72.91 -39.6 66.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.542 ' O ' HG21 ' A' ' 4' ' ' ILE . 50.9 p -68.81 -25.41 64.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 65.2 m-20 -81.4 -41.9 21.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.457 ' HB2' ' HB3' ' A' ' 36' ' ' CYS . . . -61.64 -54.54 41.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.485 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -54.94 -46.12 74.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 64' ' ' ASP . 2.9 tmt_? -63.62 -57.69 9.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 63' ' ' ARG . 0.6 OUTLIER -35.46 -50.43 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.835 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -60.41 -46.52 89.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 62' ' ' ALA . 91.9 t -46.31 -40.87 4.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.7 m-20 -59.25 -41.52 88.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.1 t80 -63.15 -37.98 89.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.437 ' HB3' HG23 ' A' ' 75' ' ' VAL . 49.9 mt -60.6 -43.11 97.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 57.9 t -64.52 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.3 mmm180 -59.63 -48.0 83.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.0 pt -71.78 -3.53 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 37.8 t30 71.37 44.89 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.884 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -111.21 -24.31 10.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.448 HG22 ' NE1' ' A' ' 11' ' ' TRP . 88.5 t -135.33 130.55 51.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.081 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.0 mtpp -78.21 126.92 31.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.901 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 21.2 p -49.97 -37.0 30.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -46.62 -30.73 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.888 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -87.8 -31.13 19.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.443 HG22 ' CG1' ' A' ' 66' ' ' VAL . 53.8 t -64.51 128.2 93.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.658 0.742 . . . . 0.0 111.145 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.405 ' HG2' HD13 ' A' ' 4' ' ' ILE . 54.1 Cg_endo -69.7 -173.69 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -116.03 132.28 56.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.078 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.56 -6.42 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.133 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 128.42 -86.13 0.32 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.495 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 25.4 mt -83.9 131.58 33.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.393 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 34.7 m -94.52 145.02 28.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.652 0.739 . . . . 0.0 111.101 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.32 64.66 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.357 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 148.39 64.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.679 2.253 . . . . 0.0 112.283 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 109.55 2.35 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.671 2.247 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.4 t -143.7 153.78 42.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -174.63 144.75 7.61 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.467 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.445 ' O ' ' C ' ' A' ' 93' ' ' SER . 54.0 Cg_endo -69.8 -24.88 29.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 92' ' ' PRO . 33.5 t -35.09 -63.18 0.34 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.7 t -59.45 108.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.533 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' -2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' -3' ' ' GLY . 1.9 t -36.96 104.88 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.898 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 2.9 m -84.53 -57.17 3.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 125.17 151.3 7.98 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.506 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 95.4 p -160.65 169.66 22.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.861 0.362 . . . . 0.0 110.894 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.6 m -51.21 132.82 28.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.07 150.35 20.86 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.462 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.405 HD11 HG21 ' A' ' 66' ' ' VAL . 4.3 tp -65.04 -33.02 60.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.9 0.381 . . . . 0.0 111.117 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' C ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -55.92 -32.71 64.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.858 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -63.75 -14.99 57.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.4 t80 -91.75 -56.28 3.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.0 tp -57.21 -47.08 82.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -49.98 -53.67 25.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.932 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.09 -60.82 2.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.146 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.455 ' NE1' HG22 ' A' ' 75' ' ' VAL . 55.2 t90 -42.26 -40.44 2.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.1 m -74.36 -47.75 32.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.92 -34.74 66.0 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -63.17 -30.77 71.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.753 0.311 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 15' ' ' ARG . 5.9 mtp-105 -99.07 28.33 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp 55.79 44.44 26.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 35.4 mtm -125.59 152.91 44.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.416 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 30.4 m -134.87 101.64 11.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.2 Cg_endo -69.76 140.3 42.34 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.714 2.276 . . . . 0.0 112.324 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.94 152.43 24.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.115 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -134.6 139.79 45.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.929 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -137.47 149.52 46.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.9 mt -128.99 150.42 34.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.7 mmm180 -140.67 160.33 40.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.5 128.35 56.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.498 HG23 ' HB3' ' A' ' 33' ' ' LYS . 2.9 m -141.41 174.54 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 95.99 173.45 36.06 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.482 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -78.88 177.57 8.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.903 0.383 . . . . 0.0 110.872 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -59.46 -43.75 93.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -78.59 -38.0 41.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 80.8 mtt180 -107.38 90.28 3.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -98.48 143.34 29.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.498 ' HB3' HG23 ' A' ' 26' ' ' VAL . 5.3 tppt? -137.53 156.92 47.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -124.16 117.47 24.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 38.8 mtm -97.23 133.84 41.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 11.3 t -125.97 151.32 47.18 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 -144.54 151.29 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.26 132.43 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 80.9 mtt180 -128.38 142.08 51.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 64.8 t -132.6 123.42 49.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -48.32 139.25 8.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.19 -36.37 4.09 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -99.78 162.87 12.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.1 p30 -105.07 -34.97 7.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -66.86 144.78 56.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 47' ' ' GLY . . . -131.76 101.95 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.111 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 46' ' ' ALA . . . -35.47 145.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.528 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.3 mtm -132.3 134.72 45.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 0.0 110.9 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -141.97 132.95 5.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 p30 -130.57 134.79 47.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.863 0.363 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 44.9 t -173.33 154.23 2.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.3 p -60.94 -23.53 65.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 2.0 p-10 -115.6 147.15 41.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -68.55 -44.27 74.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.927 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -39.34 -66.59 0.28 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -60.8 -53.48 56.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.52 -42.06 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -70.66 -54.83 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.2 t -50.91 -41.05 58.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 78.0 m-20 -61.51 -50.47 72.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -49.35 -63.74 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.105 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.495 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -44.96 -62.17 1.33 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.161 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 66' ' ' VAL . 9.3 tpt180 -48.19 -58.55 4.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -38.52 -46.88 1.22 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -69.59 -34.19 73.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.888 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 62' ' ' ALA . 96.7 t -59.83 -36.36 65.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.093 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -62.43 -44.68 95.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -61.73 -33.79 74.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.545 HD13 HG21 ' A' ' 75' ' ' VAL . 38.6 mt -61.8 -49.73 75.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.1 t -58.61 -42.72 85.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 60.5 mtt-85 -55.9 -53.16 60.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.465 HD12 ' HG2' ' A' ' 74' ' ' GLU . 46.0 pt -67.38 -5.0 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 71.81 40.98 0.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.465 ' HG2' HD12 ' A' ' 72' ' ' ILE . 26.8 mm-40 -107.15 -19.44 13.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.545 HG21 HD13 ' A' ' 69' ' ' LEU . 92.0 t -138.44 127.67 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mttm -77.79 126.89 31.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.7 p -49.13 -36.79 20.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -45.73 -34.31 3.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -84.97 -36.79 21.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.865 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 71.8 t -63.03 131.0 94.57 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.635 0.731 . . . . 0.0 111.142 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 151.95 69.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.85 165.94 12.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.522 ' O ' ' CG2' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.57 -9.43 9.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.159 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 109.58 -118.03 5.03 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.501 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 9.6 pt -83.22 151.04 4.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.898 0.38 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.525 HG23 ' HD2' ' A' ' 87' ' ' PRO . 15.0 p -174.21 136.89 0.63 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.617 0.722 . . . . 0.0 111.153 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.525 ' HD2' HG23 ' A' ' 86' ' ' VAL . 54.0 Cg_endo -69.73 148.76 65.99 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.701 2.267 . . . . 0.0 112.376 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.5 24.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.313 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 129.52 17.74 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.686 2.257 . . . . 0.0 112.328 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.4 p -119.64 101.69 8.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 69.72 177.24 18.17 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -14.09 35.71 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.723 2.282 . . . . 0.0 112.341 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.2 m -55.81 105.82 0.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.84 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.5 p -83.84 -175.69 5.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 26.5 p -122.81 174.83 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 68.4 p -68.27 158.43 33.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 97.94 -65.66 0.82 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.532 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 58.2 m -127.74 155.12 44.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.388 . . . . 0.0 110.862 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -104.59 -55.05 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.911 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 87.0 170.8 47.13 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.509 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.856 HD11 HG21 ' A' ' 66' ' ' VAL . 1.8 tp -97.19 -35.57 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 111.161 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.81 -41.68 61.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -65.0 -27.7 69.01 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -75.02 -60.19 2.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.645 HD23 ' OH ' ' A' ' 21' ' ' TYR . 56.2 tp -48.35 -52.45 21.6 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -51.48 -59.69 3.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.85 -46.57 67.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.42 ' NE1' HG22 ' A' ' 75' ' ' VAL . 89.4 t90 -56.32 -53.45 57.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.0 m -60.11 -49.53 77.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -57.87 -29.29 61.65 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.483 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.8 mtpt -66.8 -24.34 66.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 5.6 mtp-105 -108.13 26.35 10.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 51.9 mttp 60.7 45.5 10.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 48.7 mtm -129.76 157.02 43.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.889 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.423 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 5.4 m -138.52 105.04 7.68 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.601 0.715 . . . . 0.0 111.127 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.1 Cg_endo -69.78 137.73 36.11 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.66 2.24 . . . . 0.0 112.331 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -107.38 135.34 49.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.078 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.645 ' OH ' HD23 ' A' ' 8' ' ' LEU . 55.9 m-85 -119.3 134.99 54.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -131.7 126.19 33.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.882 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.4 mt -101.5 128.92 53.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.6 tpp85 -114.53 157.71 22.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -115.64 119.21 35.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.116 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.9 m -140.38 168.65 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.63 -164.26 13.0 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.532 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.0 m-80 -98.48 165.22 11.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.879 0.371 . . . . 0.0 110.906 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -49.53 -44.76 46.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -81.62 -39.39 24.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.2 mtp180 -95.15 84.04 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 52.2 tp60 -79.9 135.9 36.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.2 ttmt -132.57 157.21 45.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -133.76 109.91 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 mtt -97.69 101.56 13.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 7.7 t -97.9 144.01 27.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 18.1 mp0 -144.64 132.22 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.519 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 7.9 p -109.47 148.51 13.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.163 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -140.37 143.01 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 58.7 t -134.46 118.0 25.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -48.32 125.06 8.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 115.12 -35.68 4.26 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.494 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -101.7 152.12 21.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -89.46 -46.76 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -63.45 142.82 58.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.965 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.519 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -132.04 109.54 10.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -39.01 128.63 2.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 14.4 ptt? -122.72 135.56 54.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.821 0.344 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -150.34 132.62 4.02 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.518 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -131.81 136.66 47.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.861 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -173.77 150.0 1.64 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.0 p -55.71 -27.31 49.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.109 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -96.28 157.24 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -85.7 -43.36 13.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.0 ptmm? -57.81 -46.83 84.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -64.77 -47.43 78.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.861 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.16 -43.14 70.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.3 mt-30 -65.62 -45.81 81.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 45.0 p -60.36 -37.85 82.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -66.73 -46.47 75.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.91 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.42 -46.47 76.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.494 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -63.72 -65.45 0.68 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.068 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -45.2 -43.49 10.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.427 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -49.71 -58.05 6.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -60.97 -33.74 73.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.885 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.856 HG21 HD11 ' A' ' 4' ' ' ILE . 98.5 t -60.8 -55.0 27.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.9 OUTLIER -53.19 -32.0 45.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.94 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -71.73 -37.65 70.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.45 HD13 HG21 ' A' ' 75' ' ' VAL . 77.8 mt -56.67 -46.2 81.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 75' ' ' VAL . 98.5 t -62.82 -42.26 95.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -55.15 -37.09 66.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 38.7 pt -88.43 4.5 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.8 m120 64.18 43.42 4.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -106.94 -27.35 10.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.506 ' O ' HG22 ' A' ' 70' ' ' VAL . 83.0 t -136.55 142.93 36.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.154 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.8 mttt -92.76 130.56 38.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.5 t -50.27 -38.7 42.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -47.68 -29.0 2.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -85.2 -31.66 23.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.661 HG13 ' HD2' ' A' ' 81' ' ' PRO . 88.9 t -69.37 138.56 89.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.636 0.731 . . . . 0.0 111.117 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.661 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.3 Cg_endo -69.74 151.55 69.23 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.684 2.256 . . . . 0.0 112.321 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -90.36 151.53 21.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.127 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.426 HG23 ' H ' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -65.53 -4.41 2.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.084 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 68.14 -83.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.677 HD12 ' O ' ' A' ' 85' ' ' ILE . 2.2 pp -74.62 141.24 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.353 . . . . 0.0 111.121 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 31.9 m -130.87 150.83 77.64 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.629 0.728 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 148.22 64.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.675 2.25 . . . . 0.0 112.363 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 148.28 64.32 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.343 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -39.55 6.38 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.708 2.272 . . . . 0.0 112.333 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -84.87 139.79 31.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 114.05 146.16 9.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.86 64.87 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 25.2 m -111.22 -45.11 3.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.3 m -114.94 162.9 16.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.876 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 9.0 m -67.23 95.22 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 8.1 t -50.96 173.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.886 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 66.39 87.45 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.498 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.2 t -102.24 -52.08 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.874 0.369 . . . . 0.0 110.89 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.5 p -92.31 94.38 9.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -97.48 -43.62 2.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.481 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.638 HD11 HG21 ' A' ' 66' ' ' VAL . 8.4 tp -96.79 -21.3 5.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 111.121 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 10.2 tttt -71.65 -64.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -50.94 -17.13 0.52 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.406 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 9.1 t80 -76.99 -46.59 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 48.6 tp -76.85 -49.83 14.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -53.96 -44.66 70.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.27 -45.6 66.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.446 ' NE1' HG22 ' A' ' 75' ' ' VAL . 68.0 t90 -57.24 -50.0 74.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 m -64.91 -44.72 88.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -52.63 -42.24 58.1 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.1 mtpt -61.7 -20.04 63.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.758 0.313 . . . . 0.0 110.923 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -105.9 26.65 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 mppt? 52.41 42.24 31.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.1 mtm -121.59 157.33 31.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.2 m -134.17 101.59 12.35 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.566 0.698 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 132.6 23.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.658 2.239 . . . . 0.0 112.311 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.47 134.76 42.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -117.25 103.84 10.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.937 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -103.34 148.33 26.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.732 HG21 ' HE3' ' A' ' 54' ' ' LYS . 84.2 mt -122.74 143.51 35.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -131.84 163.81 27.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.9 120.14 36.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.086 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.5 m -134.83 159.65 41.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 107.64 -177.67 21.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -94.25 163.85 13.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.897 0.379 . . . . 0.0 110.883 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.1 tptt -45.21 -58.0 3.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -67.31 -33.2 74.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 45.9 mtt-85 -111.72 71.58 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -79.65 146.94 32.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.5 tptp -140.51 157.4 45.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.419 ' CD2' ' HG2' ' A' ' 54' ' ' LYS . 23.3 m-85 -125.14 108.64 11.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 42.0 mtp -96.91 120.81 37.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.5 t -113.9 149.34 35.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -142.95 142.94 31.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.738 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 12.4 p -113.61 147.77 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.155 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 -131.54 147.12 52.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 99.4 t -142.0 118.73 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.151 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -45.16 147.46 0.72 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 87.72 -41.57 3.09 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.46 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.5 m-85 -96.13 144.82 26.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 36.6 m-80 -91.12 -25.29 19.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.903 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.9 t80 -75.51 142.59 42.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.738 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -132.6 103.79 6.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.071 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' ALA . . . -35.1 135.56 0.39 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.464 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.0 ptm -121.25 137.5 54.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -154.18 137.43 5.71 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -127.51 146.19 50.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -174.83 131.73 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 29.1 p -41.31 -31.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.135 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -97.11 154.88 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.732 ' HE3' HG21 ' A' ' 23' ' ' ILE . 2.1 mmmm -79.43 -49.14 12.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -48.13 -51.87 23.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ALA . 11.4 t70 -64.78 -58.24 6.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ASP . . . -35.46 -46.09 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.089 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -65.09 -58.23 6.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.6 p -47.89 -36.86 12.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -69.66 -33.93 73.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.861 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.36 38.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.544 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -60.34 -54.05 50.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.105 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -46.51 -32.94 3.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -67.51 -61.61 1.81 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -49.21 -22.6 1.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.638 HG21 HD11 ' A' ' 4' ' ' ILE . 96.7 t -73.14 -35.13 46.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.428 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 1.1 p30 -65.57 -34.86 79.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.7 t80 -72.2 -33.61 67.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.875 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.582 HD13 HG21 ' A' ' 75' ' ' VAL . 78.1 mt -62.04 -50.13 73.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 74.7 t -56.39 -36.64 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.163 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 81.2 mtt180 -62.81 -49.52 74.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.864 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.46 HD11 HD23 ' A' ' 69' ' ' LEU . 25.5 pt -71.14 -0.37 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 67.43 37.64 3.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -103.97 -23.38 13.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.582 HG21 HD13 ' A' ' 69' ' ' LEU . 92.8 t -137.1 138.94 45.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.123 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 23.2 mttm -90.45 130.38 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.6 p -53.04 -36.61 60.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.84 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -49.76 -25.31 2.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.861 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -90.99 -24.61 20.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 46.1 t -72.7 129.95 86.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.605 0.717 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 153.56 68.5 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.713 2.275 . . . . 0.0 112.323 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -101.57 141.62 34.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.53 -6.49 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 112.64 -110.03 2.49 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.507 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 26.4 mm -70.32 140.37 18.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 27.7 m -130.52 146.23 60.91 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.616 0.722 . . . . 0.0 111.111 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 158.62 56.22 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.672 2.248 . . . . 0.0 112.309 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -69.67 166.83 26.15 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.744 2.296 . . . . 0.0 112.379 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -27.36 26.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.708 2.272 . . . . 0.0 112.347 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 77.8 p -71.22 111.72 6.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 117.1 82.57 0.92 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 2.01 3.93 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.674 2.25 . . . . 0.0 112.324 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 94' ' ' SER . 2.2 m -68.64 93.92 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 93' ' ' SER . 32.1 p -34.7 124.24 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.858 -179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 -179.986 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 66.7 p -96.67 102.11 13.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 62.2 p -82.72 124.45 30.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.901 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 144.12 -101.03 0.25 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.499 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.3 m -160.11 155.37 25.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.85 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.3 p -132.39 94.24 3.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -174.98 -160.14 22.43 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.51 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 1.075 HD11 HG21 ' A' ' 66' ' ' VAL . 5.8 tp -61.7 -28.84 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.951 0.405 . . . . 0.0 111.183 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.1 tmtt? -62.47 -39.07 92.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -70.11 -28.09 65.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -72.86 -62.63 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 51.1 tp -57.42 -52.31 65.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 41.8 t80 -46.75 -62.25 1.47 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -54.35 -47.25 72.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.455 ' NE1' HG22 ' A' ' 75' ' ' VAL . 67.5 t90 -57.59 -35.66 70.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.6 m -73.4 -47.83 38.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.847 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.19 -43.86 88.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -55.97 -29.81 60.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.77 0.319 . . . . 0.0 110.886 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.428 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 16.6 mtp85 -98.06 19.57 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 tptm 59.34 43.88 16.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 69.8 mtm -132.69 150.85 52.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.7 m -126.12 119.43 23.7 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.567 0.698 . . . . 0.0 111.136 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 135.43 30.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -109.53 115.22 29.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -106.33 129.55 54.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 21.4 tt0 -139.48 131.57 27.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.934 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.478 HD13 ' HD2' ' A' ' 54' ' ' LYS . 67.9 mt -107.94 148.79 11.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -126.24 158.72 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.842 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -101.17 122.42 43.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 35.7 m -144.72 175.15 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.15 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.04 179.26 34.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 29' ' ' LYS . 24.5 m120 -83.85 147.71 27.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.907 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 28' ' ' ASN . 25.9 ttpt -37.94 -45.39 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 18.7 t30 -71.42 -47.19 57.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.879 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.3 mpt_? -99.87 93.93 6.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 52' ' ' THR . 18.5 tp60 -81.04 139.67 35.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.8 mtmt -135.26 157.27 47.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 28.2 m-85 -131.84 123.23 27.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 24.6 mtt -107.4 104.86 14.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 36.1 t -98.99 136.02 39.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.921 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -133.91 136.2 44.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.7 144.64 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.088 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 62.7 mtt180 -132.85 148.64 52.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 91.7 t -140.97 116.97 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -46.61 140.67 4.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 100.58 -27.5 20.21 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.505 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -112.13 156.14 22.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.871 0.367 . . . . 0.0 110.859 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -95.76 -40.52 9.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -65.92 145.02 56.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.14 114.2 13.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.143 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -44.26 139.61 4.14 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.45 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -124.0 129.75 51.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 0.0 110.884 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.97 136.77 8.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -128.7 133.19 48.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.876 0.369 . . . . 0.0 110.866 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 t -172.07 145.11 1.76 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.807 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 32' ' ' GLN . 10.4 m -61.43 -28.35 69.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.116 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -94.09 148.1 22.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.865 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.478 ' HD2' HD13 ' A' ' 23' ' ' ILE . 2.5 mmmm -74.74 -34.89 62.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.51 -19.08 56.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -88.84 -33.62 17.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.808 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.35 -27.22 68.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -74.64 -53.64 8.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.933 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 13.7 t -53.52 -27.16 24.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -81.35 -33.55 32.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.42 -54.19 15.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.769 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -58.26 -48.8 79.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.473 ' N ' HG12 ' A' ' 4' ' ' ILE . 5.0 mmm180 -60.95 -20.92 62.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.475 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 40.3 t0 -77.29 -62.48 1.64 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -47.63 -29.15 2.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.075 HG21 HD11 ' A' ' 4' ' ' ILE . 82.7 t -60.85 -49.79 83.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 1.1 p30 -48.18 -32.38 6.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.472 ' CE1' HD13 ' A' ' 72' ' ' ILE . 34.6 t80 -79.19 -28.95 42.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 mt -68.91 -28.01 66.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 85.8 t -85.95 -42.14 15.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.179 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -60.17 -32.73 71.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.472 HD13 ' CE1' ' A' ' 68' ' ' TYR . 23.5 pt -84.04 -5.1 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 42.8 t30 72.7 36.74 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -103.76 -26.25 12.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.455 HG22 ' NE1' ' A' ' 11' ' ' TRP . 96.0 t -135.65 140.95 43.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.1 mttp -92.06 131.19 37.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.8 p -56.26 -23.89 39.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -58.04 -24.76 59.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -93.36 -36.16 12.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.676 HG13 ' HD2' ' A' ' 81' ' ' PRO . 97.4 t -62.87 138.66 97.18 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.644 0.735 . . . . 0.0 111.153 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.676 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.73 156.44 63.44 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.671 2.247 . . . . 0.0 112.311 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.06 169.02 7.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -97.87 108.79 22.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -110.63 -22.54 6.32 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.9 pt -104.48 138.29 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.826 0.346 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 12.1 m -112.0 152.86 44.6 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.637 0.732 . . . . 0.0 111.158 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 168.77 20.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.744 2.296 . . . . 0.0 112.373 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 152.52 69.0 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.687 2.258 . . . . 0.0 112.354 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -1.06 7.8 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.352 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -49.57 -53.37 24.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 60.59 -179.16 2.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 129.53 17.74 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.708 2.272 . . . . 0.0 112.335 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.5 p -83.66 -49.45 9.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 t -96.53 153.93 17.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.806 -179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.511 -179.977 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 24.7 t -103.86 98.13 8.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 3.5 m -81.9 -57.51 3.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -71.74 143.87 35.88 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.433 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 59.9 p -42.34 147.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.847 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t -96.33 136.1 37.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 141.83 -103.74 0.35 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.88 HD11 HG21 ' A' ' 66' ' ' VAL . 4.3 tp -95.98 -36.23 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.884 0.373 . . . . 0.0 111.137 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.479 ' HE2' ' CE1' ' A' ' 21' ' ' TYR . 1.8 tmtt? -47.53 -47.56 27.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -54.71 -32.75 60.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.552 ' CE1' ' HA ' ' A' ' 80' ' ' VAL . 74.4 t80 -67.09 -62.08 1.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD23 ' OH ' ' A' ' 21' ' ' TYR . 52.1 tp -56.44 -53.68 54.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.78 -68.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -47.43 -39.56 15.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.515 ' NE1' HG22 ' A' ' 75' ' ' VAL . 88.0 t90 -62.18 -48.37 80.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.5 m -64.59 -45.72 85.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.7 -41.9 43.99 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.48 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -60.59 -38.52 84.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.782 0.325 . . . . 0.0 110.857 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.401 ' C ' ' HD3' ' A' ' 16' ' ' LYS . 24.0 mtp85 -87.93 18.62 4.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.901 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 57.32 45.78 19.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 179.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.432 ' SD ' ' CG1' ' A' ' 40' ' ' VAL . 23.7 mtm -127.17 154.89 44.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.833 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.426 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 5.4 m -132.87 101.6 13.9 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.556 0.694 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.5 Cg_endo -69.76 133.94 26.77 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.674 2.249 . . . . 0.0 112.321 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -99.17 139.54 34.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.07 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.5 ' OH ' HD23 ' A' ' 8' ' ' LEU . 83.5 m-85 -121.2 122.5 40.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.977 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -119.02 130.52 55.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.407 HD13 ' HE2' ' A' ' 54' ' ' LYS . 42.1 mt -110.08 135.75 48.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.163 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.3 tpp85 -121.57 161.18 22.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -113.93 122.57 47.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.091 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 28.4 m -142.33 174.53 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.06 164.36 28.82 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -67.82 160.89 27.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.923 0.392 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -46.05 -45.46 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -77.86 -46.46 21.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 73.2 mtm-85 -93.48 90.54 6.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -91.78 140.67 29.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 tppt? -135.49 158.82 43.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -126.64 115.64 19.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.9 mtt -99.25 110.82 23.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -103.27 140.94 36.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -137.06 146.42 45.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.4 p -127.41 146.35 33.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -139.1 147.83 42.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' CG1' ' SD ' ' A' ' 17' ' ' MET . 74.1 t -139.63 123.25 18.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -45.44 136.08 5.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 102.76 -43.19 1.73 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -94.52 147.21 23.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 0.0 110.886 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -94.25 -37.46 11.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.27 138.1 55.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.76 134.56 54.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.102 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.54 133.83 38.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.487 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.8 mmt -108.15 131.75 54.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -132.04 133.02 6.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -138.05 122.26 18.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 0.0 110.918 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.1 t -164.25 145.97 8.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 50.8 p -56.19 -32.06 64.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.164 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -106.76 157.57 17.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.407 ' HE2' HD13 ' A' ' 23' ' ' ILE . 26.1 mtpt -70.21 -49.76 46.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -42.99 -60.94 1.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.69 -52.91 63.52 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.68 -56.58 2.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -53.98 -44.68 71.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 63.5 m -60.99 -42.4 98.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.881 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -59.7 -53.81 53.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.78 -58.95 4.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.134 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.604 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -56.32 -55.97 26.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.067 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -48.56 -29.71 4.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 15.2 t70 -70.93 -65.93 0.68 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -45.19 -37.12 4.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.88 HG21 HD11 ' A' ' 4' ' ' ILE . 94.0 t -54.35 -41.01 50.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.465 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.9 OUTLIER -63.98 -39.32 93.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.43 ' CE2' HD13 ' A' ' 72' ' ' ILE . 30.6 t80 -63.1 -43.76 97.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.662 HD23 HD11 ' A' ' 72' ' ' ILE . 56.2 mt -57.52 -51.51 69.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.96 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 80.1 t -53.06 -45.19 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.184 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.1 mmt-85 -58.03 -51.86 67.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.662 HD11 HD23 ' A' ' 69' ' ' LEU . 20.3 pt -69.55 -1.96 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 69.6 33.91 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' CA ' ' OE1' ' A' ' 74' ' ' GLU . 0.0 OUTLIER -93.14 -26.6 17.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.515 HG22 ' NE1' ' A' ' 11' ' ' TRP . 67.5 t -146.54 132.24 12.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.62 149.67 26.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.0 p -70.61 -26.85 63.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -54.45 -20.43 7.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -97.21 -29.45 13.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.656 HG13 ' HD2' ' A' ' 81' ' ' PRO . 95.6 t -64.38 138.81 97.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.615 0.721 . . . . 0.0 111.131 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.656 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.4 Cg_endo -69.76 145.3 56.74 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.85 134.79 51.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.9 -6.16 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 115.3 -81.52 0.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.516 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 22.9 pt -85.24 154.87 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 0.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 99.1 t -121.59 81.05 39.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.739 . . . . 0.0 111.117 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 149.82 67.18 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 167.97 22.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.674 2.249 . . . . 0.0 112.383 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -26.21 28.08 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.677 2.251 . . . . 0.0 112.363 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 64.1 p -49.29 177.97 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 170.28 -159.71 32.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.63 3.35 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.752 2.301 . . . . 0.0 112.319 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 41.0 m -152.06 164.68 36.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 59.9 p -64.18 107.54 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.841 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 -179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 79.3 p -88.53 -44.93 10.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.886 0.374 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 24.7 m -72.15 82.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -141.6 165.53 26.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.502 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.6 m -64.45 -45.58 86.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.917 0.389 . . . . 0.0 110.894 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -117.31 106.59 13.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -114.31 -168.41 16.2 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.501 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.894 HD11 HG21 ' A' ' 66' ' ' VAL . 7.2 tp -119.63 -30.96 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 111.139 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' C ' ' HD3' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -64.19 -39.33 93.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.62 -22.49 56.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.854 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -81.21 -63.17 1.46 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.4 tp -50.49 -36.89 35.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -64.26 -49.05 73.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -38.7 92.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.097 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.443 ' NE1' HG22 ' A' ' 75' ' ' VAL . 85.4 t90 -71.36 -38.33 71.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.437 ' SG ' ' N ' ' A' ' 13' ' ' GLY . 1.7 p -66.31 -41.51 89.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.437 ' N ' ' SG ' ' A' ' 12' ' ' CYS . . . -53.72 -41.44 65.93 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -55.45 -33.96 64.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.319 . . . . 0.0 110.882 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -96.45 7.4 46.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.861 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? 59.59 50.73 7.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 33.4 mtm -130.29 162.84 28.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.85 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.6 m -139.3 115.45 8.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.551 0.691 . . . . 0.0 111.128 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 132.8 24.12 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.319 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -94.69 119.66 33.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.116 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -105.89 115.95 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -135.27 127.66 30.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.487 HD11 ' NE2' ' A' ' 58' ' ' GLN . 4.6 mp -104.81 132.72 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.085 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -104.86 160.39 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -108.61 121.37 44.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.097 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.53 172.63 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.116 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.23 172.19 33.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.487 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -74.59 160.06 31.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 0.0 110.922 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -52.53 -37.94 58.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -73.57 -49.34 26.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 29.1 ttm180 -102.19 95.88 6.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -86.54 142.56 28.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.01 157.03 47.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -126.24 123.25 37.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.3 mtp -105.78 107.76 18.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.884 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.528 ' HB2' ' HB1' ' A' ' 57' ' ' ALA . 8.5 t -98.3 127.34 44.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -133.68 124.99 27.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.406 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 3.7 p -106.2 132.94 52.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.134 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 53.9 mtt180 -118.33 141.28 48.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 61.6 t -131.97 119.37 40.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -49.22 139.79 10.63 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 99.9 -37.81 3.39 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.534 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -102.21 145.94 28.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -84.61 -40.62 17.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 34.5 t80 -68.88 148.72 49.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 38' ' ' VAL . . . -134.45 119.23 18.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.54 118.73 5.02 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.0 ptm -111.35 140.43 45.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.828 0.347 . . . . 0.0 110.854 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -146.42 136.93 6.51 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -118.8 133.97 55.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.916 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 51.0 m -165.0 171.03 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -80.41 -27.76 37.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.147 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 14.4 p30 -119.68 157.55 28.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.8 mttm -69.57 -42.99 73.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HE2' ' N ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -43.67 -60.8 1.62 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -64.07 -54.51 32.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 36' ' ' CYS . . . -40.31 -42.86 1.62 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.157 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.487 ' NE2' HD11 ' A' ' 23' ' ' ILE . 22.9 mm-40 -61.07 -47.37 86.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 3.1 m -59.13 -43.62 92.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -58.75 -48.78 80.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -55.22 -64.64 0.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.062 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.696 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -47.21 -51.13 19.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.054 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -54.98 -40.47 70.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.494 ' O ' ' ND2' ' A' ' 67' ' ' ASN . 5.9 t0 -59.58 -58.27 9.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -52.77 -42.35 64.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.894 HG21 HD11 ' A' ' 4' ' ' ILE . 83.9 t -48.67 -52.82 8.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.494 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.7 OUTLIER -58.01 -43.69 86.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.489 ' N ' ' OD1' ' A' ' 67' ' ' ASN . 37.7 t80 -56.72 -33.53 66.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.527 ' HB3' HG23 ' A' ' 75' ' ' VAL . 32.8 mt -69.67 -43.55 72.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.915 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.1 t -64.15 -33.33 61.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.1 mmt180 -66.23 -41.39 90.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.449 HG13 ' CG ' ' A' ' 74' ' ' GLU . 12.3 pt -84.38 15.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 73' ' ' ASN . 0.5 OUTLIER 55.97 40.29 30.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.883 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.449 ' CG ' HG13 ' A' ' 72' ' ' ILE . 6.0 mm-40 -105.13 -23.27 12.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.527 HG23 ' HB3' ' A' ' 69' ' ' LEU . 74.7 t -137.17 140.85 41.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.135 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.5 mttt -92.96 128.09 38.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.3 p -51.43 -31.25 22.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -51.72 -28.54 15.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -91.12 -26.46 19.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.665 HG13 ' HD2' ' A' ' 81' ' ' PRO . 84.9 t -69.81 138.67 88.04 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.625 0.726 . . . . 0.0 111.139 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.665 ' HD2' HG13 ' A' ' 80' ' ' VAL . 54.1 Cg_endo -69.73 169.13 19.59 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.679 2.252 . . . . 0.0 112.359 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.39 136.3 35.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 83' ' ' VAL . 0.1 OUTLIER -98.09 110.24 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.146 -180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -113.53 -65.32 0.45 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.516 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.575 HD12 ' H ' ' A' ' 85' ' ' ILE . 3.9 mp -73.95 139.54 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.874 0.369 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.642 HG23 ' HD2' ' A' ' 87' ' ' PRO . 4.6 p -171.55 138.69 1.1 Allowed Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.64 0.733 . . . . 0.0 111.141 179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.642 ' HD2' HG23 ' A' ' 86' ' ' VAL . 53.5 Cg_endo -69.78 154.47 67.64 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.332 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 144.12 52.78 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.324 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 163.29 38.81 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.327 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.5 p -174.76 159.95 2.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.854 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 130.72 151.06 6.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.497 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 102.08 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 2.265 . . . . 0.0 112.332 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 35.7 m -80.39 161.96 24.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.7 t -37.87 -45.72 0.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 59.9 p -81.0 139.21 35.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.829 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 65.1 p -139.65 131.18 27.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.841 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . -103.31 -141.98 11.74 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.504 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.428 ' O ' ' C ' ' A' ' 2' ' ' SER . 70.6 m -55.9 112.61 1.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.918 0.39 . . . . 0.0 110.825 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 1' ' ' SER . 1.2 t -35.84 141.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -164.41 147.22 12.37 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.856 HD11 HG21 ' A' ' 66' ' ' VAL . 8.8 tp -90.78 -35.84 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.862 0.363 . . . . 0.0 111.152 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' CD ' ' H ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -56.22 -58.45 7.9 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.915 179.812 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -46.64 -36.69 7.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -65.52 -67.12 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.1 tp -47.27 -48.08 24.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -51.61 -54.03 32.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.99 -50.09 75.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.47 ' NE1' HG22 ' A' ' 75' ' ' VAL . 90.3 t90 -53.74 -42.41 68.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.9 m -79.47 -23.7 42.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.24 -22.06 76.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.467 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -90.82 -32.29 16.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.783 0.325 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 22.8 mtt-85 -85.53 26.68 0.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 53.74 47.01 24.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 30.5 mtm -133.53 157.45 45.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.8 m -134.73 110.86 11.24 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.549 0.69 . . . . 0.0 111.166 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 147.99 63.97 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -126.87 125.89 42.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -109.79 144.08 38.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -139.93 120.1 13.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.478 HD11 HE21 ' A' ' 58' ' ' GLN . 67.3 mt -99.23 134.66 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 13.1 ttp85 -120.97 166.67 13.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -114.54 117.81 31.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.496 HG21 ' HG3' ' A' ' 35' ' ' MET . 2.0 m -135.48 172.04 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 99.32 -164.51 20.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -104.89 168.14 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.39 . . . . 0.0 110.915 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.1 mttm -50.96 -53.9 28.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -64.95 -48.45 74.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.861 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -99.75 92.46 5.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -89.45 135.64 33.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.4 tttm -134.55 164.88 26.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -134.31 139.6 45.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.496 ' HG3' HG21 ' A' ' 26' ' ' VAL . 7.2 mtp -115.72 116.98 29.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 6.7 t -109.95 123.94 50.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -123.36 129.36 51.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.1 p -106.46 136.31 41.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.7 mtp180 -127.49 144.91 51.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.8 t -136.03 121.88 29.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -48.37 153.26 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 90.3 -45.56 2.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.442 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -90.51 158.37 17.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.361 . . . . 0.0 110.895 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 18.9 m-80 -98.62 -38.37 9.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.878 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 36.9 t80 -63.69 153.26 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -134.73 114.55 12.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.49 123.72 31.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.457 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 15.9 mtt -110.28 131.3 55.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.806 0.336 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -134.12 152.63 20.64 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.457 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -144.85 133.3 21.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.91 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.465 ' HB2' ' CA ' ' A' ' 57' ' ' ALA . 3.1 m -169.62 136.4 1.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.7 p -49.63 -28.1 5.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.139 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.6 p-10 -114.99 142.07 47.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.45 ' O ' ' C ' ' A' ' 55' ' ' LYS . 51.9 mttt -56.29 -58.32 8.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 54' ' ' LYS . 15.5 tptp -34.31 -61.91 0.35 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.94 -55.28 36.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.465 ' CA ' ' HB2' ' A' ' 51' ' ' SER . . . -40.69 -52.49 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.073 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.478 HE21 HD11 ' A' ' 23' ' ' ILE . 38.2 mm-40 -55.23 -42.7 73.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.493 ' O ' HG21 ' A' ' 4' ' ' ILE . 20.1 m -62.81 -39.68 95.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.846 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 37.4 m-20 -65.08 -49.73 68.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.64 -59.76 3.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.084 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -54.95 -62.95 1.32 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 62' ' ' ALA . 4.5 ttp180 -35.9 -45.29 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -58.91 -61.48 2.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.868 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -51.99 -38.88 58.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.856 HG21 HD11 ' A' ' 4' ' ' ILE . 59.0 t -52.13 -44.56 40.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -61.55 -47.69 84.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -53.07 -41.1 64.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.698 HD13 HG21 ' A' ' 75' ' ' VAL . 51.2 mt -58.36 -53.23 60.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 75' ' ' VAL . 99.2 t -56.38 -37.61 51.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -62.48 -41.99 99.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.434 ' CG1' ' OE2' ' A' ' 74' ' ' GLU . 26.7 pt -83.72 -0.76 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.105 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.1 m120 72.13 39.62 0.77 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.434 ' OE2' ' CG1' ' A' ' 72' ' ' ILE . 0.1 OUTLIER -103.15 -27.19 12.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.698 HG21 HD13 ' A' ' 69' ' ' LEU . 97.8 t -137.86 133.17 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.8 mmtt -87.32 132.34 33.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.2 p -52.17 -31.86 33.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -54.41 -24.12 18.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -90.51 -35.59 15.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.936 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.423 HG13 ' HD2' ' A' ' 81' ' ' PRO . 95.3 t -63.44 133.0 95.33 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.605 0.717 . . . . 0.0 111.152 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.423 ' HD2' HG13 ' A' ' 80' ' ' VAL . 53.6 Cg_endo -69.73 147.24 62.63 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.709 2.273 . . . . 0.0 112.341 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -97.8 138.75 34.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.067 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.3 -6.64 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.069 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 119.29 -83.81 0.36 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.502 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 7.3 pt -76.32 153.09 5.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 111.131 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 30.9 m -102.65 149.43 36.74 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.632 0.729 . . . . 0.0 111.133 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 148.25 64.04 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.635 2.224 . . . . 0.0 112.355 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 154.63 67.5 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.648 2.232 . . . . 0.0 112.353 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -23.17 31.18 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.723 2.282 . . . . 0.0 112.319 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 52.5 p -79.56 111.67 16.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -166.66 147.14 11.61 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.452 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 170.24 17.08 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.632 2.221 . . . . 0.0 112.332 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.4 p -86.05 166.2 16.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 53.9 p -56.88 162.51 2.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.86 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 52.0 p -117.05 122.01 42.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.9 0.381 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 17.3 t -61.75 -49.69 75.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.888 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 154.75 -149.96 21.39 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.489 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.3 m -140.48 115.84 9.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.921 0.391 . . . . 0.0 110.856 -179.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 t -107.03 140.17 40.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 166.87 -159.92 33.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.506 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 9.4 tp -73.13 -20.17 18.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.896 0.379 . . . . 0.0 111.099 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' HE3' ' CZ ' ' A' ' 21' ' ' TYR . 8.0 tptm -75.56 -55.49 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -47.91 -27.92 2.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 75.5 t80 -70.33 -64.25 0.93 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 tp -50.07 -54.96 16.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -49.27 -59.25 3.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -52.14 -48.93 64.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.14 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.47 ' CZ2' ' HD2' ' A' ' 15' ' ' ARG . 76.0 t90 -55.27 -54.03 48.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.405 ' SG ' ' CB ' ' A' ' 17' ' ' MET . 1.8 t -56.84 -41.88 78.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -58.77 -39.11 93.29 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -60.25 -31.25 70.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.793 0.33 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.47 ' HD2' ' CZ2' ' A' ' 11' ' ' TRP . 29.7 mtp180 -92.61 17.42 10.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp 59.85 44.02 14.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.887 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.405 ' CB ' ' SG ' ' A' ' 12' ' ' CYS . 71.0 mtm -129.68 163.49 26.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.843 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 10.8 m -139.71 108.3 7.12 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.57 0.7 . . . . 0.0 111.159 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 18' ' ' THR . 53.8 Cg_endo -69.77 133.41 25.47 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -100.16 141.4 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.091 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.408 ' CZ ' ' HE3' ' A' ' 5' ' ' LYS . 66.8 m-85 -122.45 126.55 48.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.969 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 52.4 tt0 -120.72 118.71 30.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.4 mt -101.98 123.02 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 26.8 ttt85 -109.84 162.75 14.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -118.26 120.76 38.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 m -149.0 150.36 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 125.24 166.66 12.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.514 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -63.51 172.5 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.882 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 12.4 ptpt -76.42 -3.4 36.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -100.46 -53.41 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.4 ttt180 -116.26 76.98 1.06 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -62.93 154.56 29.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -129.61 158.92 37.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -133.58 111.97 11.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.9 mtp -94.92 109.82 21.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.3 t -102.28 121.61 42.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -119.96 145.52 46.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.4 p -124.14 145.42 31.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 40.0 mtp180 -133.65 146.64 51.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 88.5 t -138.07 124.29 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -49.22 142.35 7.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 94.14 -39.69 2.88 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -95.8 148.31 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.899 0.381 . . . . 0.0 110.868 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -92.67 -34.4 13.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.873 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.2 t80 -67.64 147.54 52.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -133.38 114.56 13.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.103 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -48.16 135.21 17.42 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.461 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 69.2 mtp -131.29 130.42 42.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -145.14 134.97 5.79 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 22.6 p30 -113.69 136.3 52.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.838 0.351 . . . . 0.0 110.884 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.4 t -166.01 140.48 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.2 p -61.06 -22.99 65.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 78.5 m-20 -107.62 140.31 40.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 73.8 mttt -61.8 -51.95 66.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.0 mttt -50.35 -54.11 23.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 57' ' ' ALA . 24.7 t0 -57.65 -59.4 5.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.883 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 56' ' ' ASP . . . -36.97 -46.19 0.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 82.4 mt-30 -57.29 -58.14 9.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.7 m -45.72 -38.58 7.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 64.6 m-20 -69.61 -47.66 62.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -54.46 -50.9 66.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.087 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.592 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -59.37 -60.67 3.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.153 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -48.8 -44.41 39.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.85 -55.41 20.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.13 -40.69 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 62' ' ' ALA . 64.9 t -49.75 -45.67 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.112 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 37.5 m-20 -55.0 -29.73 57.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.434 ' O ' HG23 ' A' ' 72' ' ' ILE . 33.5 t80 -79.48 -28.28 41.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.433 ' HB3' ' CG2' ' A' ' 75' ' ' VAL . 24.0 mt -71.4 -29.01 64.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.956 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 98.8 t -84.7 -38.82 13.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.114 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -62.93 -35.08 78.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.845 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.434 HG23 ' O ' ' A' ' 68' ' ' TYR . 37.3 pt -80.99 -5.16 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.087 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.7 t-20 71.68 42.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -111.0 -28.4 8.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.442 HG22 ' NE1' ' A' ' 11' ' ' TRP . 77.1 t -130.75 130.31 64.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 31.2 mtmt -83.84 126.81 33.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.8 t -49.52 -26.88 3.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.83 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -55.07 -32.57 62.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.2 -30.33 22.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 68.1 t -64.68 131.38 95.12 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.586 0.708 . . . . 0.0 111.128 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 152.04 69.1 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.696 2.264 . . . . 0.0 112.381 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -113.67 134.94 54.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.077 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.56 -5.77 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 125.04 -93.77 0.45 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 2.8 pt -90.54 149.85 3.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.853 0.359 . . . . 0.0 111.137 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.646 HG13 ' HD2' ' A' ' 87' ' ' PRO . 93.2 t -108.02 138.51 20.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.624 0.726 . . . . 0.0 111.147 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.646 ' HD2' HG13 ' A' ' 86' ' ' VAL . 53.7 Cg_endo -69.77 164.91 32.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.695 2.264 . . . . 0.0 112.353 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 160.69 48.76 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.648 2.232 . . . . 0.0 112.358 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -43.64 2.51 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.658 2.239 . . . . 0.0 112.349 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.0 t -104.14 141.43 36.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 171.22 -163.26 36.13 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.504 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 125.16 11.82 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.9 m 47.28 30.49 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 95' ' ' GLY . 13.0 t -111.81 -35.56 5.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 94' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.522 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' SER . . . . . . . . . . . . . 52.5 p -75.58 115.35 15.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' SER . . . . . . . . . . . . . 40.8 t -145.32 107.17 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . 169.48 60.86 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 44.2 t -145.28 145.83 31.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.863 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -122.69 163.73 19.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 105.52 -128.6 9.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.488 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.625 HG23 ' N ' ' A' ' 5' ' ' LYS . 8.0 tp -105.99 -51.88 7.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.902 0.382 . . . . 0.0 111.137 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.625 ' N ' HG23 ' A' ' 4' ' ' ILE . 0.0 OUTLIER -36.49 -60.57 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.871 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -43.47 -38.7 2.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.436 ' N ' ' O ' ' A' ' 4' ' ' ILE . 66.0 t80 -62.71 -66.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 tp -48.03 -54.7 12.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -47.58 -62.08 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.5 -46.84 57.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.488 ' NE1' HG22 ' A' ' 75' ' ' VAL . 77.3 t90 -54.53 -48.66 71.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.41 ' CB ' ' HD3' ' A' ' 19' ' ' PRO . 11.8 m -63.16 -50.67 69.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -50.53 -45.96 46.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.494 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 41.2 mmtt -53.95 -30.26 46.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.727 0.299 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -97.86 21.54 10.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.2 mttt 55.76 39.0 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 22.2 mtm -123.51 162.87 22.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.867 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 29.8 m -138.25 111.25 8.47 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.613 0.721 . . . . 0.0 111.101 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.41 ' HD3' ' CB ' ' A' ' 12' ' ' CYS . 53.7 Cg_endo -69.78 131.82 21.99 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -95.61 124.23 39.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.072 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -110.11 126.88 54.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.965 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -134.58 141.38 46.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.634 HD11 HE21 ' A' ' 58' ' ' GLN . 65.8 mt -118.59 142.72 32.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.9 mmt85 -129.79 167.99 17.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -117.28 128.58 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 27.1 m -141.14 175.71 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.098 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 89.0 -161.31 30.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -107.27 171.76 7.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.9 pttm -63.87 -26.12 68.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.3 m-20 -75.41 -45.85 36.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -116.03 86.95 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.863 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 34.4 tt0 -70.94 140.16 50.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.877 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.03 156.12 48.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.876 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.463 ' CD2' ' HG3' ' A' ' 54' ' ' LYS . 24.0 m-85 -129.5 108.95 10.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.853 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.4 mtp -93.58 132.62 37.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -127.45 142.82 51.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -138.45 134.48 34.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.452 HG13 ' O ' ' A' ' 38' ' ' VAL . 14.5 p -116.51 124.51 72.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.147 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -114.58 148.59 37.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 97.0 t -136.28 113.78 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.148 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -43.4 130.08 5.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.61 -43.74 1.65 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 -94.73 151.75 19.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.893 0.377 . . . . 0.0 110.887 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -89.25 -42.37 11.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -67.38 137.08 55.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -125.47 107.67 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -40.67 133.87 2.65 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.429 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.4 ppp? -129.9 153.08 48.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.826 0.346 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -155.44 140.97 7.7 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.498 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -128.15 117.53 21.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.9 m -152.1 167.01 29.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -78.49 -35.15 46.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.128 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -93.75 143.32 26.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.854 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 76.2 mttt -66.02 -47.68 73.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -53.11 -57.32 10.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.909 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -55.4 -58.05 9.34 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.865 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.71 -54.72 3.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.634 HE21 HD11 ' A' ' 23' ' ' ILE . 25.7 mm-40 -54.17 -43.82 70.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.3 t -62.25 -40.69 97.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -60.81 -45.96 92.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -58.87 -53.87 53.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.053 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.676 ' O ' HG23 ' A' ' 66' ' ' VAL . . . -60.17 -48.82 80.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.103 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.01 -31.95 70.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -64.97 -63.71 1.04 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 67.7 t80 -44.48 -34.36 2.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.87 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 62' ' ' ALA . 92.7 t -55.67 -46.45 79.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 67' ' ' ASN . 0.8 OUTLIER -58.82 -36.16 74.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -67.6 -34.0 76.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD13 HG21 ' A' ' 75' ' ' VAL . 52.5 mt -64.65 -49.24 71.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 64.3 t -56.19 -42.97 74.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.7 mmt-85 -56.95 -52.54 64.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.505 HD11 HD23 ' A' ' 69' ' ' LEU . 26.1 pt -70.67 -0.63 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.166 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 68.08 42.28 1.83 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -106.56 -16.78 14.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.566 HG21 HD13 ' A' ' 69' ' ' LEU . 88.0 t -141.92 141.47 29.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.151 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 53.3 mttt -91.08 126.47 36.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 27.8 p -50.12 -32.03 14.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.855 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -53.23 -29.75 34.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -87.28 -36.63 17.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 76.1 t -62.82 131.45 94.45 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.678 0.752 . . . . 0.0 111.115 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 169.25 19.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -108.01 157.09 18.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -6.75 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 120.32 -118.95 4.03 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.432 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.0 mt -76.07 142.55 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.889 0.376 . . . . 0.0 111.114 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 89.3 t -113.33 80.82 4.69 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.728 . . . . 0.0 111.119 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 164.75 33.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.36 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 165.76 29.86 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.6 18.99 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.655 2.237 . . . . 0.0 112.375 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 m -59.79 119.6 7.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 154.99 164.29 12.86 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 1.4 4.48 Favored 'Trans proline' 0 N--CA 1.465 -0.153 0 C-N-CA 122.718 2.278 . . . . 0.0 112.362 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 93.8 p -58.75 166.84 1.73 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.4 t -40.96 -60.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.832 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.499 -179.968 . . . . . . . . 0 0 . 1 stop_ save_